CID 125424430

1-(2-phenylethyl)-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
C1=CC=C(C=C1)CCN2C(=CC=N2)S(=O)(=O)Cl
InChI
InChI=1S/C11H11ClN2O2S/c12-17(15,16)11-6-8-13-14(11)9-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKey
MHVZATJLMKCQFY-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)pyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02298 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03026 157.8
[M+Na]+ 293.01220 168.6
[M-H]- 269.01570 162.8
[M+NH4]+ 288.05680 174.8
[M+K]+ 308.98614 163.3
[M+H-H2O]+ 253.02024 151.0
[M+HCOO]- 315.02118 170.9
[M+CH3COO]- 329.03683 189.8
[M+Na-2H]- 290.99765 160.9
[M]+ 270.02243 163.0
[M]- 270.02353 163.0
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

No patent data available for this compound.