CID 45792483

4-fluoro-6-methoxybenzene-1,3-disulfonyl dichloride

Structural Information

Molecular Formula
C7H5Cl2FO5S2
SMILES
COC1=CC(=C(C=C1S(=O)(=O)Cl)S(=O)(=O)Cl)F
InChI
InChI=1S/C7H5Cl2FO5S2/c1-15-5-2-4(10)6(16(8,11)12)3-7(5)17(9,13)14/h2-3H,1H3
InChIKey
CBPQXIPWDIBYOO-UHFFFAOYSA-N
Compound name
4-fluoro-6-methoxybenzene-1,3-disulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.89395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.90123 154.6
[M+Na]+ 344.88317 166.2
[M-H]- 320.88667 158.1
[M+NH4]+ 339.92777 171.1
[M+K]+ 360.85711 160.4
[M+H-H2O]+ 304.89121 151.0
[M+HCOO]- 366.89215 157.3
[M+CH3COO]- 380.90780 196.1
[M+Na-2H]- 342.86862 157.6
[M]+ 321.89340 162.3
[M]- 321.89450 162.3
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.