CID 17024786

1-ethyl-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClN2O2S
SMILES
CCN1C(=C(C(=N1)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKey
RQCJMZFSOMFEOT-UHFFFAOYSA-N
Compound name
1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.02298 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03026 148.6
[M+Na]+ 245.01220 160.4
[M+NH4]+ 240.05680 155.6
[M+K]+ 260.98614 155.1
[M-H]- 221.01570 147.6
[M+Na-2H]- 242.99765 151.8
[M]+ 222.02243 150.6
[M]- 222.02353 150.6
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

patents stripe