CID 19576718

1-propyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClN2O2S
SMILES
CCCN1C=C(C=N1)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClN2O2S/c1-2-3-9-5-6(4-8-9)12(7,10)11/h4-5H,2-3H2,1H3
InChIKey
JHAMFGLLNGMTHE-UHFFFAOYSA-N
Compound name
1-propylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

208.00732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01460 140.9
[M+Na]+ 230.99654 152.2
[M-H]- 207.00004 142.9
[M+NH4]+ 226.04114 160.7
[M+K]+ 246.97048 148.7
[M+H-H2O]+ 191.00458 135.6
[M+HCOO]- 253.00552 153.9
[M+CH3COO]- 267.02117 179.3
[M+Na-2H]- 228.98199 144.0
[M]+ 208.00677 146.5
[M]- 208.00787 146.5
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