CID 46785668

387-88-2

Structural Information

Molecular Formula
C9H10F3N
SMILES
CC1=CC=CC=C1C(C(F)(F)F)N
InChI
InChI=1S/C9H10F3N/c1-6-4-2-3-5-7(6)8(13)9(10,11)12/h2-5,8H,13H2,1H3
InChIKey
HBPCGCQLMHJYHR-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.07654 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.6
[M+Na]+ 212.06576 144.6
[M-H]- 188.06926 136.2
[M+NH4]+ 207.11036 155.9
[M+K]+ 228.03970 141.8
[M+H-H2O]+ 172.07380 128.7
[M+HCOO]- 234.07474 155.8
[M+CH3COO]- 248.09039 185.4
[M+Na-2H]- 210.05121 140.9
[M]+ 189.07599 130.3
[M]- 189.07709 130.3
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

patents stripe