CID 75458022

N-(cyanomethyl)-2,2-difluoroacetamide

Structural Information

Molecular Formula
C4H4F2N2O
SMILES
C(C#N)NC(=O)C(F)F
InChI
InChI=1S/C4H4F2N2O/c5-3(6)4(9)8-2-1-7/h3H,2H2,(H,8,9)
InChIKey
QGPBCNIUUKYCDG-UHFFFAOYSA-N
Compound name
N-(cyanomethyl)-2,2-difluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.02917 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.036446 120.3
[M+Na]+ 157.018388 128.8
[M-H]- 133.021894 118.7
[M+NH4]+ 152.062993 139.4
[M+K]+ 172.992328 129.0
[M+H-H2O]+ 117.026430 107.4
[M+HCOO]- 179.027371 138.8
[M+CH3COO]- 193.043021 187.7
[M+Na-2H]- 155.003836 125.0
[M]+ 134.02862142 112.2
[M]- 134.02971858 112.2
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.