CID 13609518

1011244-72-6

Structural Information

Molecular Formula
C14H11F3N2O
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C14H11F3N2O/c15-14(16,17)10-3-7-12(8-4-10)19-13(20)9-1-5-11(18)6-2-9/h1-8H,18H2,(H,19,20)
InChIKey
YUWBBWHECQSIKL-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.08234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08962 159.5
[M+Na]+ 303.07156 167.0
[M-H]- 279.07506 162.1
[M+NH4]+ 298.11616 174.4
[M+K]+ 319.04550 162.2
[M+H-H2O]+ 263.07960 149.5
[M+HCOO]- 325.08054 179.9
[M+CH3COO]- 339.09619 202.9
[M+Na-2H]- 301.05701 163.4
[M]+ 280.08179 153.0
[M]- 280.08289 153.0
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

No patent data available for this compound.