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]+ 209.00268 137.9
[M+Na]+ 230.98462 148.2
[M-H]- 206.98812 137.3
[M+NH4]+ 226.02922 155.8
[M+K]+ 246.95856 146.2
[M+H-H2O]+ 190.99266 131.5
[M+HCOO]- 252.99360 153.0
[M+CH3COO]- 267.00925 176.0
[M+Na-2H]- 228.97007 140.4
[M]+ 207.99485 140.1
[M]- 207.99595 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.