CID 137943349

2287313-36-2

Structural Information

Molecular Formula
C6H5ClF2N2O2S
SMILES
C1C(C1(F)F)N2C=CC(=N2)S(=O)(=O)Cl
InChI
InChI=1S/C6H5ClF2N2O2S/c7-14(12,13)5-1-2-11(10-5)4-3-6(4,8)9/h1-2,4H,3H2
InChIKey
JNNJXAGZULYMIW-UHFFFAOYSA-N
Compound name
1-(2,2-difluorocyclopropyl)pyrazole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97284 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98012 139.8
[M+Na]+ 264.96206 153.3
[M-H]- 240.96556 143.0
[M+NH4]+ 260.00666 155.0
[M+K]+ 280.93600 148.6
[M+H-H2O]+ 224.97010 133.2
[M+HCOO]- 286.97104 151.0
[M+CH3COO]- 300.98669 187.0
[M+Na-2H]- 262.94751 143.2
[M]+ 241.97229 144.9
[M]- 241.97339 144.9
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.