CID 710759

2-nitro-n-[2-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C14H9F3N2O3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C14H9F3N2O3/c15-14(16,17)10-6-2-3-7-11(10)18-13(20)9-5-1-4-8-12(9)19(21)22/h1-8H,(H,18,20)
InChIKey
MORUOUXZJAHZBA-UHFFFAOYSA-N
Compound name
2-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

310.05652 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06380 162.0
[M+Na]+ 333.04574 168.5
[M-H]- 309.04924 165.0
[M+NH4]+ 328.09034 175.1
[M+K]+ 349.01968 160.6
[M+H-H2O]+ 293.05378 156.4
[M+HCOO]- 355.05472 183.0
[M+CH3COO]- 369.07037 199.4
[M+Na-2H]- 331.03119 168.4
[M]+ 310.05597 156.0
[M]- 310.05707 156.0
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