CID 14994660

Methyl 2-(4-chloro-3-nitrobenzoyl)benzoate

Structural Information

Molecular Formula
C15H10ClNO5
SMILES
COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClNO5/c1-22-15(19)11-5-3-2-4-10(11)14(18)9-6-7-12(16)13(8-9)17(20)21/h2-8H,1H3
InChIKey
YHDJIHYJPQZDFP-UHFFFAOYSA-N
Compound name
methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

319.02475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03203 165.8
[M+Na]+ 342.01397 180.8
[M+NH4]+ 337.05857 172.8
[M+K]+ 357.98791 177.2
[M-H]- 318.01747 170.1
[M+Na-2H]- 339.99942 173.2
[M]+ 319.02420 169.3
[M]- 319.02530 169.3
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