CID 54595625

1-(4-chlorophenyl)-5-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H8Cl2N2O2S
SMILES
CC1=C(C=NN1C2=CC=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C10H8Cl2N2O2S/c1-7-10(17(12,15)16)6-13-14(7)9-4-2-8(11)3-5-9/h2-6H,1H3
InChIKey
JEJTXRNNMBJNGU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-methylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96835 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97563 159.2
[M+Na]+ 312.95757 172.1
[M-H]- 288.96107 164.4
[M+NH4]+ 308.00217 176.3
[M+K]+ 328.93151 166.0
[M+H-H2O]+ 272.96561 153.4
[M+HCOO]- 334.96655 167.3
[M+CH3COO]- 348.98220 193.6
[M+Na-2H]- 310.94302 160.7
[M]+ 289.96780 165.6
[M]- 289.96890 165.6
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.