CID 21239

15958-19-7

Structural Information

Molecular Formula
C17H13ClN2O4S
SMILES
CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)
InChIKey
IYHIFXGFKVJNBB-UHFFFAOYSA-N
Compound name
5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

20430
Patents

376.02844 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.035716 182.0
[M+Na]+ 399.017658 192.6
[M-H]- 375.021164 190.6
[M+NH4]+ 394.062263 196.2
[M+K]+ 414.991598 186.6
[M+H-H2O]+ 359.025700 175.2
[M+HCOO]- 421.026641 197.1
[M+CH3COO]- 435.042291 218.1
[M+Na-2H]- 397.003106 187.8
[M]+ 376.02789142 189.1
[M]- 376.02898858 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe