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

365
Patents

198.04475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05203 139.5
[M+Na]+ 221.03397 147.8
[M-H]- 197.03747 141.8
[M+NH4]+ 216.07857 159.1
[M+K]+ 237.00791 143.6
[M+H-H2O]+ 181.04201 135.0
[M+HCOO]- 243.04295 157.4
[M+CH3COO]- 257.05860 180.7
[M+Na-2H]- 219.01942 144.4
[M]+ 198.04420 141.8
[M]- 198.04530 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