CID 43531756

1-benzyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClN2O2S/c11-16(14,15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey
HGMRBJPAOYCPEM-UHFFFAOYSA-N
Compound name
1-benzylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

256.00732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 153.4
[M+Na]+ 278.996538 164.6
[M-H]- 255.000044 158.5
[M+NH4]+ 274.041143 171.0
[M+K]+ 294.970478 159.5
[M+H-H2O]+ 239.004580 146.7
[M+HCOO]- 301.005521 166.8
[M+CH3COO]- 315.021171 186.8
[M+Na-2H]- 276.981986 157.0
[M]+ 256.00677142 158.2
[M]- 256.00786858 158.2
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

patents stripe