CID 3783165

1,1,1-trifluoropropan-2-amine

Structural Information

Molecular Formula
C3H6F3N
SMILES
CC(C(F)(F)F)N
InChI
InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKey
SNMLKBMPULDPTA-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2387
Patents

113.045235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05251 116.9
[M+Na]+ 136.03445 124.9
[M-H]- 112.03796 113.4
[M+NH4]+ 131.07906 139.1
[M+K]+ 152.00839 124.7
[M+H-H2O]+ 96.042495 110.6
[M+HCOO]- 158.04344 136.3
[M+CH3COO]- 172.05909 171.0
[M+Na-2H]- 134.01990 122.3
[M]+ 113.04469 110.2
[M]- 113.04578 110.2
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