CID 14370

2-benzoyl-5-chlorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

260.02402 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03130 154.0
[M+Na]+ 283.01324 169.0
[M+NH4]+ 278.05784 162.1
[M+K]+ 298.98718 162.1
[M-H]- 259.01674 157.4
[M+Na-2H]- 280.99869 162.6
[M]+ 260.02347 157.4
[M]- 260.02457 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe