CID 17750285

1-methyl-1h-imidazole-2-sulfonyl fluoride

Structural Information

Molecular Formula
C4H5FN2O2S
SMILES
CN1C=CN=C1S(=O)(=O)F
InChI
InChI=1S/C4H5FN2O2S/c1-7-3-2-6-4(7)10(5,8)9/h2-3H,1H3
InChIKey
SNHGIVRTDYJPBU-UHFFFAOYSA-N
Compound name
1-methylimidazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.00557 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01285 127.5
[M+Na]+ 186.99479 139.2
[M-H]- 162.99829 128.4
[M+NH4]+ 182.03939 148.2
[M+K]+ 202.96873 137.5
[M+H-H2O]+ 147.00283 121.1
[M+HCOO]- 209.00377 144.8
[M+CH3COO]- 223.01942 172.1
[M+Na-2H]- 184.98024 131.6
[M]+ 164.00502 129.8
[M]- 164.00612 129.8
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.