CID 118539

33713-13-2

Structural Information

Molecular Formula
C14H8ClF3N2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H8ClF3N2O4/c15-9-5-4-7(14(16,17)18)6-10(9)19-13(22)8-2-1-3-11(12(8)21)20(23)24/h1-6,21H,(H,19,22)
InChIKey
XEAGPJLFWLZMRI-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

360.01248 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.01976 170.6
[M+Na]+ 383.00170 178.8
[M-H]- 359.00520 172.7
[M+NH4]+ 378.04630 182.4
[M+K]+ 398.97564 169.3
[M+H-H2O]+ 343.00974 166.5
[M+HCOO]- 405.01068 185.9
[M+CH3COO]- 419.02633 205.1
[M+Na-2H]- 380.98715 175.1
[M]+ 360.01193 167.5
[M]- 360.01303 167.5
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