CID 66564

2-(4-chlorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H9ClO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey
YWECCEXWKFHHQJ-UHFFFAOYSA-N
Compound name
2-(4-chlorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1077
Patents

260.02402 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03130 152.6
[M+Na]+ 283.01324 161.3
[M-H]- 259.01674 158.4
[M+NH4]+ 278.05784 169.3
[M+K]+ 298.98718 156.3
[M+H-H2O]+ 243.02128 146.7
[M+HCOO]- 305.02222 170.1
[M+CH3COO]- 319.03787 191.8
[M+Na-2H]- 280.99869 156.1
[M]+ 260.02347 154.6
[M]- 260.02457 154.6
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