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 173.2
[M+Na]+ 360.00677 183.3
[M-H]- 336.01027 179.2
[M+NH4]+ 355.05137 189.1
[M+K]+ 375.98071 177.6
[M+H-H2O]+ 320.01481 168.0
[M+HCOO]- 382.01575 182.9
[M+CH3COO]- 396.03140 201.2
[M+Na-2H]- 357.99222 175.0
[M]+ 337.01700 177.9
[M]- 337.01810 177.9
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.