CID 167726923

Rac-1-[(1r,3r)-3-[(1z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropyl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H13ClF3N
SMILES
CC1([C@H]([C@H]1/C=C(/C(F)(F)F)\Cl)CN)C
InChI
InChI=1S/C9H13ClF3N/c1-8(2)5(6(8)4-14)3-7(10)9(11,12)13/h3,5-6H,4,14H2,1-2H3/b7-3-/t5-,6+/m1/s1
InChIKey
GZNDYJQUYCZETE-ZENQWGKKSA-N
Compound name
[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06886 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07614 136.3
[M+Na]+ 250.05808 146.7
[M-H]- 226.06158 136.9
[M+NH4]+ 245.10268 152.4
[M+K]+ 266.03202 141.9
[M+H-H2O]+ 210.06612 130.8
[M+HCOO]- 272.06706 149.9
[M+CH3COO]- 286.08271 194.4
[M+Na-2H]- 248.04353 139.4
[M]+ 227.06831 135.6
[M]- 227.06941 135.6
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.