CID 84721285

3-chloro-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C3H2Cl2N2O2S
SMILES
C1=NNC(=C1S(=O)(=O)Cl)Cl
InChI
InChI=1S/C3H2Cl2N2O2S/c4-3-2(1-6-7-3)10(5,8)9/h1H,(H,6,7)
InChIKey
ARQQLKOTZWOCAN-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9214 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.92868 133.9
[M+Na]+ 222.91062 146.0
[M-H]- 198.91412 134.4
[M+NH4]+ 217.95522 153.5
[M+K]+ 238.88456 141.2
[M+H-H2O]+ 182.91866 129.9
[M+HCOO]- 244.91960 141.2
[M+CH3COO]- 258.93525 172.6
[M+Na-2H]- 220.89607 137.3
[M]+ 199.92085 137.0
[M]- 199.92195 137.0
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

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