CID 51358545

886371-51-3

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1=CC(=CC=C1C(C(F)(F)F)N)N
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,7H,12-13H2
InChIKey
OBHDPXUAHBSVPI-UHFFFAOYSA-N
Compound name
4-(1-amino-2,2,2-trifluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07178 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 136.2
[M+Na]+ 213.06100 143.7
[M-H]- 189.06450 135.3
[M+NH4]+ 208.10560 154.8
[M+K]+ 229.03494 140.8
[M+H-H2O]+ 173.06904 128.1
[M+HCOO]- 235.06998 156.1
[M+CH3COO]- 249.08563 186.7
[M+Na-2H]- 211.04645 140.3
[M]+ 190.07123 127.8
[M]- 190.07233 127.8
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

No patent data available for this compound.