CID 137964358

Methyl 5-(fluorosulfonyl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C5H5FN2O4S
SMILES
COC(=O)C1=NNC(=C1)S(=O)(=O)F
InChI
InChI=1S/C5H5FN2O4S/c1-12-5(9)3-2-4(8-7-3)13(6,10)11/h2H,1H3,(H,7,8)
InChIKey
QFNWBQJVERBXRZ-UHFFFAOYSA-N
Compound name
methyl 5-fluorosulfonyl-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.002676 137.9
[M+Na]+ 230.984618 148.2
[M-H]- 206.988124 137.3
[M+NH4]+ 226.029223 155.8
[M+K]+ 246.958558 146.2
[M+H-H2O]+ 190.992660 131.5
[M+HCOO]- 252.993601 153.0
[M+CH3COO]- 267.009251 176.0
[M+Na-2H]- 228.970066 140.4
[M]+ 207.99485142 140.1
[M]- 207.99594858 140.1
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.