CID 44249263

915416-45-4

Structural Information

Molecular Formula
C12H8F3N
SMILES
C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)N
InChI
InChI=1S/C12H8F3N/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h1-6H,16H2
InChIKey
FTIKVBVUYPQUBF-UHFFFAOYSA-N
Compound name
2-(3,4,5-trifluorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1368
Patents

223.06088 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06816 143.3
[M+Na]+ 246.05010 154.0
[M-H]- 222.05360 146.8
[M+NH4]+ 241.09470 161.7
[M+K]+ 262.02404 148.8
[M+H-H2O]+ 206.05814 134.1
[M+HCOO]- 268.05908 165.6
[M+CH3COO]- 282.07473 193.0
[M+Na-2H]- 244.03555 147.1
[M]+ 223.06033 138.3
[M]- 223.06143 138.3
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