CID 90481563

2,4-dichlorophenyl 2-methyl-3-nitrobenzoate

Structural Information

Molecular Formula
C14H9Cl2NO4
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO4/c1-8-10(3-2-4-12(8)17(19)20)14(18)21-13-6-5-9(15)7-11(13)16/h2-7H,1H3
InChIKey
FFQYZAWDYAOLHS-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-methyl-3-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99088 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.99816 166.1
[M+Na]+ 347.98010 182.9
[M+NH4]+ 343.02470 174.3
[M+K]+ 363.95404 177.5
[M-H]- 323.98360 171.2
[M+Na-2H]- 345.96555 174.2
[M]+ 324.99033 170.6
[M]- 324.99143 170.6
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.