CID 165605147

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

Structural Information

Molecular Formula
C4H3FN2O4S
SMILES
C1=C(NN=C1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C4H3FN2O4S/c5-12(10,11)3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKey
VDVKJUZRRCWZRV-UHFFFAOYSA-N
Compound name
5-fluorosulfonyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.97975 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.987026 133.8
[M+Na]+ 216.968968 144.0
[M-H]- 192.972474 131.9
[M+NH4]+ 212.013573 151.4
[M+K]+ 232.942908 141.3
[M+H-H2O]+ 176.977010 127.7
[M+HCOO]- 238.977951 147.7
[M+CH3COO]- 252.993601 171.2
[M+Na-2H]- 214.954416 136.3
[M]+ 193.97920142 133.8
[M]- 193.98029858 133.8
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.