CID 34658

2-(4-chlorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11ClO2
SMILES
CCC(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H11ClO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey
CVZHTBMFVPENFE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

138
Patents

198.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.2
[M+Na]+ 221.03397 147.3
[M-H]- 197.03747 141.6
[M+NH4]+ 216.07857 158.8
[M+K]+ 237.00791 143.6
[M+H-H2O]+ 181.04201 134.9
[M+HCOO]- 243.04295 156.2
[M+CH3COO]- 257.05860 181.5
[M+Na-2H]- 219.01942 142.9
[M]+ 198.04420 141.0
[M]- 198.04530 141.0
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