CID 2342177

380432-25-7

Structural Information

Molecular Formula
C15H14ClNO5S
SMILES
CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C15H14ClNO5S/c1-17(10-3-5-11(22-2)6-4-10)23(20,21)12-7-8-14(16)13(9-12)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKey
APWASPNYSYXNHS-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0281 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03538 174.1
[M+Na]+ 378.01732 182.5
[M-H]- 354.02082 181.7
[M+NH4]+ 373.06192 187.9
[M+K]+ 393.99126 178.7
[M+H-H2O]+ 338.02536 167.7
[M+HCOO]- 400.02630 187.4
[M+CH3COO]- 414.04195 211.1
[M+Na-2H]- 376.00277 176.3
[M]+ 355.02755 181.7
[M]- 355.02865 181.7
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.