CID 115016809

5-fluoro-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C3H2ClFN2O2S
SMILES
C1=NNC(=C1S(=O)(=O)Cl)F
InChI
InChI=1S/C3H2ClFN2O2S/c4-10(8,9)2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKey
YGGUOKGHDXCWLW-UHFFFAOYSA-N
Compound name
5-fluoro-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.95096 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.95824 129.1
[M+Na]+ 206.94018 141.2
[M-H]- 182.94368 128.7
[M+NH4]+ 201.98478 149.0
[M+K]+ 222.91412 137.1
[M+H-H2O]+ 166.94822 123.6
[M+HCOO]- 228.94916 140.5
[M+CH3COO]- 242.96481 170.3
[M+Na-2H]- 204.92563 132.8
[M]+ 183.95041 130.6
[M]- 183.95151 130.6
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.