CID 84703410

2,4-difluoro-3-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O3S
SMILES
COC1=C(C=CC(=C1F)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5ClF2O3S/c1-13-7-4(9)2-3-5(6(7)10)14(8,11)12/h2-3H,1H3
InChIKey
HOMCRQATKGIJDA-UHFFFAOYSA-N
Compound name
2,4-difluoro-3-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9616 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.968876 138.1
[M+Na]+ 264.950818 150.4
[M-H]- 240.954324 140.7
[M+NH4]+ 259.995423 157.7
[M+K]+ 280.924758 146.1
[M+H-H2O]+ 224.958860 132.5
[M+HCOO]- 286.959801 150.9
[M+CH3COO]- 300.975451 186.6
[M+Na-2H]- 262.936266 141.5
[M]+ 241.96105142 142.7
[M]- 241.96214858 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.