CID 9891

Dimethylcarbamyl fluoride

Structural Information

Molecular Formula
C3H6FNO
SMILES
CN(C)C(=O)F
InChI
InChI=1S/C3H6FNO/c1-5(2)3(4)6/h1-2H3
InChIKey
IRSDGYFTDVBVAK-UHFFFAOYSA-N
Compound name
N,N-dimethylcarbamoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

91.04334 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.050616 113.0
[M+Na]+ 114.03256 121.0
[M-H]- 90.036064 114.1
[M+NH4]+ 109.07716 137.1
[M+K]+ 130.00650 122.9
[M+H-H2O]+ 74.040600 107.8
[M+HCOO]- 136.04154 137.7
[M+CH3COO]- 150.05719 170.4
[M+Na-2H]- 112.01801 119.4
[M]+ 91.042791 112.4
[M]- 91.043889 112.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe