CID 60912506

1179625-82-1

Structural Information

Molecular Formula
C10H8Cl2N2O2S
SMILES
C1=CC(=CC=C1CN2C=C(C=N2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O2S/c11-9-3-1-8(2-4-9)6-14-7-10(5-13-14)17(12,15)16/h1-5,7H,6H2
InChIKey
CWKFVCNTLNTOCK-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96835 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97563 159.4
[M+Na]+ 312.95757 171.4
[M-H]- 288.96107 164.2
[M+NH4]+ 308.00217 176.2
[M+K]+ 328.93151 165.4
[M+H-H2O]+ 272.96561 153.3
[M+HCOO]- 334.96655 167.5
[M+CH3COO]- 348.98220 192.5
[M+Na-2H]- 310.94302 161.5
[M]+ 289.96780 165.4
[M]- 289.96890 165.4
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.