CID 54594522

1-(2-methoxyphenyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClN2O3S
SMILES
COC1=CC=CC=C1N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClN2O3S/c1-16-10-5-3-2-4-9(10)13-7-8(6-12-13)17(11,14)15/h2-7H,1H3
InChIKey
KJLBRVABZVYDNL-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.00223 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.009506 156.1
[M+Na]+ 294.991448 167.9
[M-H]- 270.994954 161.6
[M+NH4]+ 290.036053 173.2
[M+K]+ 310.965388 163.4
[M+H-H2O]+ 254.999490 149.7
[M+HCOO]- 317.000431 169.7
[M+CH3COO]- 331.016081 190.0
[M+Na-2H]- 292.976896 159.3
[M]+ 272.00168142 162.8
[M]- 272.00277858 162.8
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.