CID 165478454

2770359-06-1

Structural Information

Molecular Formula
C3H7ClFN
SMILES
CNCC(F)Cl
InChI
InChI=1S/C3H7ClFN/c1-6-2-3(4)5/h3,6H,2H2,1H3
InChIKey
ZBFUELRLFNFTDT-UHFFFAOYSA-N
Compound name
2-chloro-2-fluoro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.02511 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03239 117.4
[M+Na]+ 134.01433 125.4
[M-H]- 110.01783 116.5
[M+NH4]+ 129.05893 140.7
[M+K]+ 149.98827 123.8
[M+H-H2O]+ 94.022370 113.2
[M+HCOO]- 156.02331 136.5
[M+CH3COO]- 170.03896 170.4
[M+Na-2H]- 131.99978 124.0
[M]+ 111.02456 116.6
[M]- 111.02566 116.6
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.