CID 61394841

3-(2,4-dichloro-5-fluorophenyl)-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H4Cl3FN2O2S
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)C2=C(C=NN2)S(=O)(=O)Cl
InChI
InChI=1S/C9H4Cl3FN2O2S/c10-5-2-6(11)7(13)1-4(5)9-8(3-14-15-9)18(12,16)17/h1-3H,(H,14,15)
InChIKey
GPDOVQVGLDDSES-UHFFFAOYSA-N
Compound name
5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.9043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.91158 161.4
[M+Na]+ 350.89352 174.4
[M-H]- 326.89702 163.1
[M+NH4]+ 345.93812 176.3
[M+K]+ 366.86746 167.0
[M+H-H2O]+ 310.90156 155.8
[M+HCOO]- 372.90250 161.9
[M+CH3COO]- 386.91815 197.2
[M+Na-2H]- 348.87897 161.0
[M]+ 327.90375 164.9
[M]- 327.90485 164.9
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

No patent data available for this compound.