CID 12263075

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

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)Cl
InChI
InChI=1S/C11H11ClN2O2S/c1-8-11(17(12,15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
YOZYVZVQEADZEV-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-phenylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

270.02298 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.030256 157.3
[M+Na]+ 293.012198 169.7
[M-H]- 269.015704 163.0
[M+NH4]+ 288.056803 174.9
[M+K]+ 308.986138 164.4
[M+H-H2O]+ 253.020240 151.1
[M+HCOO]- 315.021181 170.3
[M+CH3COO]- 329.036831 192.1
[M+Na-2H]- 290.997646 159.1
[M]+ 270.02243142 163.3
[M]- 270.02352858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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