CID 84709638

1706458-23-2

Structural Information

Molecular Formula
C7H5Cl2FO3S
SMILES
COC1=C(C=C(C=C1Cl)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5Cl2FO3S/c1-13-7-5(8)2-4(3-6(7)10)14(9,11)12/h2-3H,1H3
InChIKey
NKLWOLDUHBGVAQ-UHFFFAOYSA-N
Compound name
3-chloro-5-fluoro-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.93204 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.93932 141.2
[M+Na]+ 280.92126 153.7
[M-H]- 256.92476 144.8
[M+NH4]+ 275.96586 160.7
[M+K]+ 296.89520 148.6
[M+H-H2O]+ 240.92930 137.6
[M+HCOO]- 302.93024 150.1
[M+CH3COO]- 316.94589 188.6
[M+Na-2H]- 278.90671 144.6
[M]+ 257.93149 147.8
[M]- 257.93259 147.8
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.