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]+ 194.98703 133.8
[M+Na]+ 216.96897 144.0
[M-H]- 192.97247 131.9
[M+NH4]+ 212.01357 151.4
[M+K]+ 232.94291 141.3
[M+H-H2O]+ 176.97701 127.7
[M+HCOO]- 238.97795 147.7
[M+CH3COO]- 252.99360 171.2
[M+Na-2H]- 214.95442 136.3
[M]+ 193.97920 133.8
[M]- 193.98030 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.