CID 62631506

1250506-18-3

Structural Information

Molecular Formula
C7H4Cl2F2O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)F)Cl
InChI
InChI=1S/C7H4Cl2F2O2S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3,7H
InChIKey
WTDRGOGUSDWYKX-UHFFFAOYSA-N
Compound name
4-chloro-3-(difluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9277 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93498 139.4
[M+Na]+ 282.91692 150.9
[M-H]- 258.92042 141.3
[M+NH4]+ 277.96152 158.4
[M+K]+ 298.89086 145.3
[M+H-H2O]+ 242.92496 134.8
[M+HCOO]- 304.92590 146.1
[M+CH3COO]- 318.94155 188.9
[M+Na-2H]- 280.90237 141.7
[M]+ 259.92715 142.7
[M]- 259.92825 142.7
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.