CID 24229467

4-(1-methyl-1h-pyrazol-3-yl)-benzenesulfonyl chloride

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CN1C=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClN2O2S/c1-13-7-6-10(12-13)8-2-4-9(5-3-8)16(11,14)15/h2-7H,1H3
InChIKey
PXFXKTMOZHYJJU-UHFFFAOYSA-N
Compound name
4-(1-methylpyrazol-3-yl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 153.1
[M+Na]+ 278.99654 165.2
[M-H]- 255.00004 158.7
[M+NH4]+ 274.04114 171.0
[M+K]+ 294.97048 160.1
[M+H-H2O]+ 239.00458 146.8
[M+HCOO]- 301.00552 166.5
[M+CH3COO]- 315.02117 187.9
[M+Na-2H]- 276.98199 156.1
[M]+ 256.00677 158.4
[M]- 256.00787 158.4
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

patents stripe