CID 110074

68368-35-4

Structural Information

Molecular Formula
C17H12Cl2N2O4S
SMILES
CC1=CC(=C(C(=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)O)Cl
InChI
InChI=1S/C17H12Cl2N2O4S/c1-9-8-12(18)17(26(23,24)25)16(14(9)19)21-20-15-11-5-3-2-4-10(11)6-7-13(15)22/h2-8,22H,1H3,(H,23,24,25)
InChIKey
MQAXVLIGWDPEEE-UHFFFAOYSA-N
Compound name
3,6-dichloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.98947 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.99675 187.8
[M+Na]+ 432.97869 199.4
[M-H]- 408.98219 196.2
[M+NH4]+ 428.02329 201.5
[M+K]+ 448.95263 192.8
[M+H-H2O]+ 392.98673 182.2
[M+HCOO]- 454.98767 197.9
[M+CH3COO]- 469.00332 223.3
[M+Na-2H]- 430.96414 192.2
[M]+ 409.98892 196.7
[M]- 409.99002 196.7
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.