CID 45054921

(4-(2-((4-chlorophenyl)sulfonyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C15H13ClN2O5S
SMILES
C1=CC(=CC=C1/C=N/NS(=O)(=O)C2=CC=C(C=C2)Cl)OCC(=O)O
InChI
InChI=1S/C15H13ClN2O5S/c16-12-3-7-14(8-4-12)24(21,22)18-17-9-11-1-5-13(6-2-11)23-10-15(19)20/h1-9,18H,10H2,(H,19,20)/b17-9+
InChIKey
TWWXQRLAZNJSCW-RQZCQDPDSA-N
Compound name
2-[4-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.02338 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03066 178.7
[M+Na]+ 391.01260 186.0
[M-H]- 367.01610 185.7
[M+NH4]+ 386.05720 191.3
[M+K]+ 406.98654 180.8
[M+H-H2O]+ 351.02064 171.6
[M+HCOO]- 413.02158 194.2
[M+CH3COO]- 427.03723 212.7
[M+Na-2H]- 388.99805 183.1
[M]+ 368.02283 184.9
[M]- 368.02393 184.9
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.