CID 3517205

2,4-dichlorobenzyl 2-chloro-4-nitrobenzoate

Structural Information

Molecular Formula
C14H8Cl3NO4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl3NO4/c15-9-2-1-8(12(16)5-9)7-22-14(19)11-4-3-10(18(20)21)6-13(11)17/h1-6H,7H2
InChIKey
SOGKJSPCNXABAM-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 2-chloro-4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.9519 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.95918 173.0
[M+Na]+ 381.94112 189.7
[M+NH4]+ 376.98572 180.9
[M+K]+ 397.91506 183.6
[M-H]- 357.94462 177.5
[M+Na-2H]- 379.92657 180.6
[M]+ 358.95135 177.6
[M]- 358.95245 177.6
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

No patent data available for this compound.