CID 259740

4-(4-chlorophenyl)butanoic acid

Structural Information

Molecular Formula
C10H11ClO2
SMILES
C1=CC(=CC=C1CCCC(=O)O)Cl
InChI
InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKey
YJMDORBRISAZSC-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

198.04475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 139.5
[M+Na]+ 221.033968 147.8
[M-H]- 197.037474 141.8
[M+NH4]+ 216.078573 159.1
[M+K]+ 237.007908 143.6
[M+H-H2O]+ 181.042010 135.0
[M+HCOO]- 243.042951 157.4
[M+CH3COO]- 257.058601 180.7
[M+Na-2H]- 219.019416 144.4
[M]+ 198.04420142 141.8
[M]- 198.04529858 141.8
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