CID 14370

Benzoic acid, 2-benzoyl-5-chloro-

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

218
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 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

No literature data available for this compound.

Patent stripe

patents stripe