CID 93286239

(2r)-2-[3-(trifluoromethyl)phenyl]propan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12F3N
SMILES
C[C@@H](CN)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C10H12F3N/c1-7(6-14)8-3-2-4-9(5-8)10(11,12)13/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKey
LZHPSFNIFXANNY-ZETCQYMHSA-N
Compound name
(2R)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 141.4
[M+Na]+ 226.081398 148.9
[M-H]- 202.084904 140.7
[M+NH4]+ 221.126003 160.1
[M+K]+ 242.055338 145.9
[M+H-H2O]+ 186.089440 133.3
[M+HCOO]- 248.090381 160.2
[M+CH3COO]- 262.106031 188.5
[M+Na-2H]- 224.066846 145.1
[M]+ 203.09163142 135.4
[M]- 203.09272858 135.4
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.