CID 112563989

3-fluoro-3-(trifluoromethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H7F4N
SMILES
C1C(CC1(C(F)(F)F)F)N
InChI
InChI=1S/C5H7F4N/c6-4(5(7,8)9)1-3(10)2-4/h3H,1-2,10H2
InChIKey
MPVHOWJQWMALED-UHFFFAOYSA-N
Compound name
3-fluoro-3-(trifluoromethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.05147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05875 129.7
[M+Na]+ 180.04069 137.3
[M-H]- 156.04419 128.4
[M+NH4]+ 175.08529 145.7
[M+K]+ 196.01463 138.5
[M+H-H2O]+ 140.04873 118.2
[M+HCOO]- 202.04967 146.7
[M+CH3COO]- 216.06532 181.2
[M+Na-2H]- 178.02614 134.5
[M]+ 157.05092 129.7
[M]- 157.05202 129.7
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.