CID 255844

2-fluoro-2-isobutylmalonamide

Structural Information

Molecular Formula
C7H13FN2O2
SMILES
CC(C)CC(C(=O)N)(C(=O)N)F
InChI
InChI=1S/C7H13FN2O2/c1-4(2)3-7(8,5(9)11)6(10)12/h4H,3H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKey
OIOSLICSNZUOBE-UHFFFAOYSA-N
Compound name
2-fluoro-2-(2-methylpropyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0961 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10338 138.0
[M+Na]+ 199.08532 143.4
[M-H]- 175.08882 136.0
[M+NH4]+ 194.12992 156.7
[M+K]+ 215.05926 143.3
[M+H-H2O]+ 159.09336 132.2
[M+HCOO]- 221.09430 157.5
[M+CH3COO]- 235.10995 186.5
[M+Na-2H]- 197.07077 139.1
[M]+ 176.09555 133.7
[M]- 176.09665 133.7
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.