CID 25247471

1156915-65-9

Structural Information

Molecular Formula
C7H11ClN2O2S
SMILES
CC(C)CN1C=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClN2O2S/c1-6(2)4-10-5-7(3-9-10)13(8,11)12/h3,5-6H,4H2,1-2H3
InChIKey
ZUUQAAYNIIUCBB-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02298 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03026 147.5
[M+Na]+ 245.01220 158.3
[M+NH4]+ 240.05680 154.5
[M+K]+ 260.98614 153.4
[M-H]- 221.01570 146.2
[M+Na-2H]- 242.99765 151.0
[M]+ 222.02243 149.2
[M]- 222.02353 149.2
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.