CID 2062252

4-nitro-n-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C14H9F3N2O3
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C14H9F3N2O3/c15-14(16,17)10-2-1-3-11(8-10)18-13(20)9-4-6-12(7-5-9)19(21)22/h1-8H,(H,18,20)
InChIKey
JJJCKJORTNOIAC-UHFFFAOYSA-N
Compound name
4-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

310.05652 Da
Monoisotopic Mass

4.0
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

literature stripe

Patent stripe

patents stripe