CID 2782384

2-bromo-2-fluoro-n-methylacetamide

Structural Information

Molecular Formula
C3H5BrFNO
SMILES
CNC(=O)C(F)Br
InChI
InChI=1S/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKey
MINFGRMBJUDPPR-UHFFFAOYSA-N
Compound name
2-bromo-2-fluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

168.95386 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.96114 126.1
[M+Na]+ 191.94308 136.9
[M-H]- 167.94658 128.2
[M+NH4]+ 186.98768 149.5
[M+K]+ 207.91702 127.4
[M+H-H2O]+ 151.95112 125.6
[M+HCOO]- 213.95206 146.6
[M+CH3COO]- 227.96771 178.5
[M+Na-2H]- 189.92853 132.6
[M]+ 168.95331 141.9
[M]- 168.95441 141.9
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