CID 14938070

1-(phenylsulfonyl)cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H14O4S
SMILES
C1CCC(C1)(C(=O)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O4S/c13-11(14)12(8-4-5-9-12)17(15,16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey
MSNDNUCIDZJDMT-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.06128 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06856 155.5
[M+Na]+ 277.05050 164.3
[M+NH4]+ 272.09510 163.9
[M+K]+ 293.02444 158.2
[M-H]- 253.05400 156.2
[M+Na-2H]- 275.03595 161.9
[M]+ 254.06073 157.3
[M]- 254.06183 157.3
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

patents stripe