CID 113102

Benzenesulfonyl fluoride, 3-[[(5-hydroxy-1-naphthalenyl)amino]sulfonyl]-

Structural Information

Molecular Formula
C16H12FNO5S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)F)S(=O)(=O)NC2=CC=CC3=C2C=CC=C3O
InChI
InChI=1S/C16H12FNO5S2/c17-24(20,21)11-4-1-5-12(10-11)25(22,23)18-15-8-2-7-14-13(15)6-3-9-16(14)19/h1-10,18-19H
InChIKey
RLDLNWRDHJXWLP-UHFFFAOYSA-N
Compound name
3-[(5-hydroxynaphthalen-1-yl)sulfamoyl]benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

381.0141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.02138 181.1
[M+Na]+ 404.00332 189.9
[M-H]- 380.00682 185.6
[M+NH4]+ 399.04792 193.0
[M+K]+ 419.97726 183.2
[M+H-H2O]+ 364.01136 173.3
[M+HCOO]- 426.01230 191.0
[M+CH3COO]- 440.02795 211.1
[M+Na-2H]- 401.98877 188.0
[M]+ 381.01355 183.6
[M]- 381.01465 183.6
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

patents stripe