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]+ 273.00951 157.3
[M+Na]+ 294.99145 170.8
[M+NH4]+ 290.03605 164.6
[M+K]+ 310.96539 164.7
[M-H]- 270.99495 158.6
[M+Na-2H]- 292.97690 164.1
[M]+ 272.00168 160.3
[M]- 272.00278 160.3
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.