CID 710855

N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide

Structural Information

Molecular Formula
C14H10ClFN2O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H10ClFN2O3/c1-8-2-3-9(6-13(8)18(20)21)14(19)17-10-4-5-12(16)11(15)7-10/h2-7H,1H3,(H,17,19)
InChIKey
DUJRVEWWPMCTQV-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

308.0364 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04368 165.0
[M+Na]+ 331.02562 173.2
[M-H]- 307.02912 170.8
[M+NH4]+ 326.07022 179.6
[M+K]+ 346.99956 164.2
[M+H-H2O]+ 291.03366 162.1
[M+HCOO]- 353.03460 185.1
[M+CH3COO]- 367.05025 200.4
[M+Na-2H]- 329.01107 169.2
[M]+ 308.03585 165.1
[M]- 308.03695 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe