CID 135666610

65208-24-4

Structural Information

Molecular Formula
C23H17FN4O9S3
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C3=C(C=C2)C(=CC=C3)NS(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)F)O
InChI
InChI=1S/C23H17FN4O9S3/c1-38(32,33)22-12-14(28(30)31)8-10-20(22)25-26-21-11-9-17-18(23(21)29)6-3-7-19(17)27-40(36,37)16-5-2-4-15(13-16)39(24,34)35/h2-13,27,29H,1H3
InChIKey
XLIIXVCJFYLNTH-UHFFFAOYSA-N
Compound name
3-[[5-hydroxy-6-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-yl]sulfamoyl]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.01416 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.02144 230.3
[M+Na]+ 631.00338 231.9
[M-H]- 607.00688 236.5
[M+NH4]+ 626.04798 230.2
[M+K]+ 646.97732 221.3
[M+H-H2O]+ 591.01142 222.5
[M+HCOO]- 653.01236 236.9
[M+CH3COO]- 667.02801 251.5
[M+Na-2H]- 628.98883 246.3
[M]+ 608.01361 230.3
[M]- 608.01471 230.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.