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]+ 191.079056 136.2
[M+Na]+ 213.060998 143.7
[M-H]- 189.064504 135.3
[M+NH4]+ 208.105603 154.8
[M+K]+ 229.034938 140.8
[M+H-H2O]+ 173.069040 128.1
[M+HCOO]- 235.069981 156.1
[M+CH3COO]- 249.085631 186.7
[M+Na-2H]- 211.046446 140.3
[M]+ 190.07123142 127.8
[M]- 190.07232858 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.