CID 60911357

1-cyclohexyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H13ClN2O2S
SMILES
C1CCC(CC1)N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C9H13ClN2O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKey
MRPCTQICMIZOMU-UHFFFAOYSA-N
Compound name
1-cyclohexylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03862 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.045896 153.2
[M+Na]+ 271.027838 161.7
[M-H]- 247.031344 157.3
[M+NH4]+ 266.072443 170.8
[M+K]+ 287.001778 157.6
[M+H-H2O]+ 231.035880 146.8
[M+HCOO]- 293.036821 162.7
[M+CH3COO]- 307.052471 184.9
[M+Na-2H]- 269.013286 154.5
[M]+ 248.03807142 153.6
[M]- 248.03916858 153.6
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.