CID 137963845

1-methyl-3-phenyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CN1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClN2O2S/c1-13-7-9(16(11,14)15)10(12-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
KCYDDIQSIDVNJB-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 153.1
[M+Na]+ 278.996538 165.2
[M-H]- 255.000044 158.7
[M+NH4]+ 274.041143 171.0
[M+K]+ 294.970478 160.1
[M+H-H2O]+ 239.004580 146.8
[M+HCOO]- 301.005521 166.5
[M+CH3COO]- 315.021171 187.9
[M+Na-2H]- 276.981986 156.1
[M]+ 256.00677142 158.4
[M]- 256.00786858 158.4
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.