CID 54434926

N-methylsulfamoyl fluoride

Structural Information

Molecular Formula
CH4FNO2S
SMILES
CNS(=O)(=O)F
InChI
InChI=1S/CH4FNO2S/c1-3-6(2,4)5/h3H,1H3
InChIKey
WKBFOPPPPFIKOU-UHFFFAOYSA-N
Compound name
N-methylsulfamoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

112.994675 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.001951 113.9
[M+Na]+ 135.983893 123.1
[M-H]- 111.987399 113.8
[M+NH4]+ 131.028498 136.7
[M+K]+ 151.957833 122.4
[M+H-H2O]+ 95.991935 108.9
[M+HCOO]- 157.992876 132.9
[M+CH3COO]- 172.008526 165.9
[M+Na-2H]- 133.969341 120.2
[M]+ 112.99412642 114.2
[M]- 112.99522358 114.2
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