CID 122164973

1823464-80-7

Structural Information

Molecular Formula
C5H6ClFN2O2S
SMILES
CC1=NN(C(=C1S(=O)(=O)Cl)F)C
InChI
InChI=1S/C5H6ClFN2O2S/c1-3-4(12(6,10)11)5(7)9(2)8-3/h1-2H3
InChIKey
KYCXSJDLHKJJRX-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.98225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.98953 136.7
[M+Na]+ 234.97147 150.1
[M-H]- 210.97497 138.1
[M+NH4]+ 230.01607 156.8
[M+K]+ 250.94541 146.4
[M+H-H2O]+ 194.97951 131.3
[M+HCOO]- 256.98045 148.9
[M+CH3COO]- 270.99610 181.3
[M+Na-2H]- 232.95692 138.6
[M]+ 211.98170 141.6
[M]- 211.98280 141.6
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.