CID 263005

Phthalic acid mono-((2-chloro-phenyl)-phenyl-methyl) ester

Structural Information

Molecular Formula
C21H15ClO4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)OC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H15ClO4/c22-18-13-7-6-12-17(18)19(14-8-2-1-3-9-14)26-21(25)16-11-5-4-10-15(16)20(23)24/h1-13,19H,(H,23,24)
InChIKey
YKSUSBZFUCVFQJ-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)-phenylmethoxy]carbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

366.0659 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07318 182.2
[M+Na]+ 389.05512 188.6
[M-H]- 365.05862 190.4
[M+NH4]+ 384.09972 193.7
[M+K]+ 405.02906 183.1
[M+H-H2O]+ 349.06316 173.9
[M+HCOO]- 411.06410 197.7
[M+CH3COO]- 425.07975 211.1
[M+Na-2H]- 387.04057 183.3
[M]+ 366.06535 184.9
[M]- 366.06645 184.9
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