CID 155970469

1-(fluorosulfonyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H3FN2O4S
SMILES
C1=CN(N=C1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C4H3FN2O4S/c5-12(10,11)7-2-1-3(6-7)4(8)9/h1-2H,(H,8,9)
InChIKey
UZPZMLYRQZEBMI-UHFFFAOYSA-N
Compound name
1-fluorosulfonylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.97975 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98703 133.2
[M+Na]+ 216.96897 143.9
[M-H]- 192.97247 132.7
[M+NH4]+ 212.01357 151.5
[M+K]+ 232.94291 142.1
[M+H-H2O]+ 176.97701 126.9
[M+HCOO]- 238.97795 148.6
[M+CH3COO]- 252.99360 173.6
[M+Na-2H]- 214.95442 136.2
[M]+ 193.97920 135.1
[M]- 193.98030 135.1
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.