CID 82692248

3,5-diethyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClN2O2S
SMILES
CCC1=C(C(=NN1)CC)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClN2O2S/c1-3-5-7(13(8,11)12)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10)
InChIKey
XUFZXVDKRVKDEK-UHFFFAOYSA-N
Compound name
3,5-diethyl-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

222.02298 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03026 145.4
[M+Na]+ 245.01220 156.6
[M-H]- 221.01570 146.1
[M+NH4]+ 240.05680 164.2
[M+K]+ 260.98614 151.9
[M+H-H2O]+ 205.02024 140.5
[M+HCOO]- 267.02118 156.6
[M+CH3COO]- 281.03683 180.8
[M+Na-2H]- 242.99765 147.0
[M]+ 222.02243 149.9
[M]- 222.02353 149.9
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