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

24
Patents

256.00732 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 154.0
[M+Na]+ 278.99654 167.7
[M+NH4]+ 274.04114 161.9
[M+K]+ 294.97048 160.8
[M-H]- 255.00004 155.8
[M+Na-2H]- 276.98199 161.5
[M]+ 256.00677 157.2
[M]- 256.00787 157.2
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