CID 163920

Sx-ab 1316 se

Structural Information

Molecular Formula
C17H16ClNO4S
SMILES
C1C(CC2=C1C=CC(=C2)CC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClNO4S/c18-14-3-5-16(6-4-14)24(22,23)19-15-9-12-2-1-11(8-17(20)21)7-13(12)10-15/h1-7,15,19H,8-10H2,(H,20,21)
InChIKey
HOLKFWCVMQYHCW-UHFFFAOYSA-N
Compound name
2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

365.04886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05614 180.4
[M+Na]+ 388.03808 191.6
[M+NH4]+ 383.08268 187.6
[M+K]+ 404.01202 185.4
[M-H]- 364.04158 182.9
[M+Na-2H]- 386.02353 185.6
[M]+ 365.04831 183.3
[M]- 365.04941 183.3
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