CID 13499164

Benzyl(1,1,1-trifluoropropan-2-yl)amine hydrochloride

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC(C(F)(F)F)NCC1=CC=CC=C1
InChI
InChI=1S/C10H12F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKey
BDFXCYINJQZXHU-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,1-trifluoropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.09218 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.099456 141.2
[M+Na]+ 226.081398 147.7
[M-H]- 202.084904 140.6
[M+NH4]+ 221.126003 159.9
[M+K]+ 242.055338 145.1
[M+H-H2O]+ 186.089440 132.8
[M+HCOO]- 248.090381 160.7
[M+CH3COO]- 262.106031 188.0
[M+Na-2H]- 224.066846 146.7
[M]+ 203.09163142 135.9
[M]- 203.09272858 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe