CID 28901538

1258640-83-3

Structural Information

Molecular Formula
C4H6F3N
SMILES
C1[C@@H]([C@@H]1N)C(F)(F)F
InChI
InChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2/t2-,3+/m0/s1
InChIKey
UDWSAEWNKJDWHU-STHAYSLISA-N
Compound name
cis-(1R,2S)-2-(trifluoromethyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

125.045235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.052511 113.8
[M+Na]+ 148.034453 124.1
[M-H]- 124.037959 114.8
[M+NH4]+ 143.079058 130.9
[M+K]+ 164.008393 121.7
[M+H-H2O]+ 108.042495 106.3
[M+HCOO]- 170.043436 134.4
[M+CH3COO]- 184.059086 176.3
[M+Na-2H]- 146.019901 120.3
[M]+ 125.04468642 110.1
[M]- 125.04578358 110.1
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.