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 164.6
[M+Na]+ 344.96380 177.8
[M-H]- 320.96730 168.6
[M+NH4]+ 340.00840 180.6
[M+K]+ 360.93774 171.1
[M+H-H2O]+ 304.97184 158.0
[M+HCOO]- 366.97278 171.3
[M+CH3COO]- 380.98843 200.3
[M+Na-2H]- 342.94925 164.6
[M]+ 321.97403 170.8
[M]- 321.97513 170.8
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.