CID 122163469

2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethan-1-amine

Structural Information

Molecular Formula
C6H11ClFN
SMILES
CC1(CC1(F)Cl)CCN
InChI
InChI=1S/C6H11ClFN/c1-5(2-3-9)4-6(5,7)8/h2-4,9H2,1H3
InChIKey
ZIIVOBURUZZDOC-UHFFFAOYSA-N
Compound name
2-(2-chloro-2-fluoro-1-methylcyclopropyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.05641 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06369 123.3
[M+Na]+ 174.04563 134.2
[M-H]- 150.04913 126.8
[M+NH4]+ 169.09023 143.9
[M+K]+ 190.01957 131.7
[M+H-H2O]+ 134.05367 120.3
[M+HCOO]- 196.05461 141.8
[M+CH3COO]- 210.07026 180.2
[M+Na-2H]- 172.03108 131.0
[M]+ 151.05586 125.7
[M]- 151.05696 125.7
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.