CID 23323250

2,2-difluoro-n-methylethanamine

Structural Information

Molecular Formula
C3H7F2N
SMILES
CNCC(F)F
InChI
InChI=1S/C3H7F2N/c1-6-2-3(4)5/h3,6H,2H2,1H3
InChIKey
BFIDWKHKCDJLQE-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1889
Patents

95.05466 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.061936 114.2
[M+Na]+ 118.04388 121.5
[M-H]- 94.047384 112.2
[M+NH4]+ 113.08848 137.3
[M+K]+ 134.01782 121.8
[M+H-H2O]+ 78.051920 108.1
[M+HCOO]- 140.05286 136.8
[M+CH3COO]- 154.06851 169.2
[M+Na-2H]- 116.02933 120.7
[M]+ 95.054111 110.4
[M]- 95.055209 110.4
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

patents stripe