CID 137963833

(1e)-2-(1-methyl-1h-pyrazol-4-yl)ethene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H7FN2O2S
SMILES
CN1C=C(C=N1)/C=C/S(=O)(=O)F
InChI
InChI=1S/C6H7FN2O2S/c1-9-5-6(4-8-9)2-3-12(7,10)11/h2-5H,1H3/b3-2+
InChIKey
MJHFXBZCOKYADH-NSCUHMNNSA-N
Compound name
(E)-2-(1-methylpyrazol-4-yl)ethenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.02122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.028496 135.9
[M+Na]+ 213.010438 147.1
[M-H]- 189.013944 136.6
[M+NH4]+ 208.055043 155.6
[M+K]+ 228.984378 144.3
[M+H-H2O]+ 173.018480 129.2
[M+HCOO]- 235.019421 152.8
[M+CH3COO]- 249.035071 176.5
[M+Na-2H]- 210.995886 139.0
[M]+ 190.02067142 138.2
[M]- 190.02176858 138.2
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.