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]+ 191.02850 135.9
[M+Na]+ 213.01044 147.1
[M-H]- 189.01394 136.6
[M+NH4]+ 208.05504 155.6
[M+K]+ 228.98438 144.3
[M+H-H2O]+ 173.01848 129.2
[M+HCOO]- 235.01942 152.8
[M+CH3COO]- 249.03507 176.5
[M+Na-2H]- 210.99589 139.0
[M]+ 190.02067 138.2
[M]- 190.02177 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.