CID 131677188

2208822-80-2

Structural Information

Molecular Formula
C4H7BrF2N2O
SMILES
C(CNC(=O)C(F)(F)Br)N
InChI
InChI=1S/C4H7BrF2N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)
InChIKey
XCPVQTDOFZFLBO-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97098 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.978256 138.1
[M+Na]+ 238.960198 148.1
[M-H]- 214.963704 138.2
[M+NH4]+ 234.004803 159.0
[M+K]+ 254.934138 137.1
[M+H-H2O]+ 198.968240 135.9
[M+HCOO]- 260.969181 157.0
[M+CH3COO]- 274.984831 187.4
[M+Na-2H]- 236.945646 144.2
[M]+ 215.97043142 151.2
[M]- 215.97152858 151.2
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.