CID 21710211

3,3,3-trifluoro-2-phenylpropan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10F3N
SMILES
C1=CC=C(C=C1)C(CN)C(F)(F)F
InChI
InChI=1S/C9H10F3N/c10-9(11,12)8(6-13)7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChIKey
YXAOXWPRTAEREJ-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-2-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

189.07654 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.9
[M+Na]+ 212.06576 143.9
[M-H]- 188.06926 136.1
[M+NH4]+ 207.11036 155.9
[M+K]+ 228.03970 141.1
[M+H-H2O]+ 172.07380 128.8
[M+HCOO]- 234.07474 156.1
[M+CH3COO]- 248.09039 184.3
[M+Na-2H]- 210.05121 141.9
[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