CID 2377198

380342-93-8

Structural Information

Molecular Formula
C15H12ClNO4S
SMILES
C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl
InChI
InChI=1S/C15H12ClNO4S/c16-12-6-5-11(15(18)19)9-14(12)22(20,21)17-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8H2,(H,18,19)
InChIKey
IVMIMSXDLXNILK-UHFFFAOYSA-N
Compound name
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.01755 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02483 172.3
[M+Na]+ 360.00677 185.1
[M+NH4]+ 355.05137 179.6
[M+K]+ 375.98071 179.1
[M-H]- 336.01027 173.9
[M+Na-2H]- 357.99222 177.7
[M]+ 337.01700 175.2
[M]- 337.01810 175.2
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.