CID 6318

4-chlorobenzoic acid

Structural Information

Molecular Formula
C7H5ClO2
SMILES
C1=CC(=CC=C1C(=O)O)Cl
InChI
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Compound name
4-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

244
References

19715
Patents

155.9978 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00508 126.0
[M+Na]+ 178.98702 139.9
[M+NH4]+ 174.03162 135.0
[M+K]+ 194.96096 133.7
[M-H]- 154.99052 127.7
[M+Na-2H]- 176.97247 133.4
[M]+ 155.99725 128.7
[M]- 155.99835 128.7
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