CID 5198217

N-phenyl-3,5-bis(trifluoromethyl)aniline

Structural Information

Molecular Formula
C14H9F6N
SMILES
C1=CC=C(C=C1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H9F6N/c15-13(16,17)9-6-10(14(18,19)20)8-12(7-9)21-11-4-2-1-3-5-11/h1-8,21H
InChIKey
MBHKTLILAXTGER-UHFFFAOYSA-N
Compound name
N-phenyl-3,5-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

305.0639 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07118 172.9
[M+Na]+ 328.05312 179.1
[M+NH4]+ 323.09772 175.7
[M+K]+ 344.02706 173.9
[M-H]- 304.05662 168.7
[M+Na-2H]- 326.03857 176.0
[M]+ 305.06335 172.3
[M]- 305.06445 172.3
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