CID 82918788

1545518-17-9

Structural Information

Molecular Formula
C11H9Cl2FN2O2S
SMILES
CCC1=NN(C(=C1S(=O)(=O)Cl)Cl)C2=CC=CC=C2F
InChI
InChI=1S/C11H9Cl2FN2O2S/c1-2-8-10(19(13,17)18)11(12)16(15-8)9-6-4-3-5-7(9)14/h3-6H,2H2,1H3
InChIKey
BJXZQJRMOCKINE-UHFFFAOYSA-N
Compound name
5-chloro-3-ethyl-1-(2-fluorophenyl)pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.97458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.98186 168.1
[M+Na]+ 344.96380 181.7
[M+NH4]+ 340.00840 174.9
[M+K]+ 360.93774 174.7
[M-H]- 320.96730 168.2
[M+Na-2H]- 342.94925 173.5
[M]+ 321.97403 171.0
[M]- 321.97513 171.0
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

No patent data available for this compound.