CID 54594532

1-(5-chloro-2-methoxyphenyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H8Cl2N2O3S
SMILES
COC1=C(C=C(C=C1)Cl)N2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C10H8Cl2N2O3S/c1-17-10-3-2-7(11)4-9(10)14-6-8(5-13-14)18(12,15)16/h2-6H,1H3
InChIKey
HHKCSNFVESYDSD-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.96326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.97054 161.8
[M+Na]+ 328.95248 174.4
[M-H]- 304.95598 167.0
[M+NH4]+ 323.99708 178.1
[M+K]+ 344.92642 169.0
[M+H-H2O]+ 288.96052 156.0
[M+HCOO]- 350.96146 170.1
[M+CH3COO]- 364.97711 195.7
[M+Na-2H]- 326.93793 163.6
[M]+ 305.96271 169.6
[M]- 305.96381 169.6
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.