CID 55279109

Akos006332823

Structural Information

Molecular Formula
C8H5ClFNO3S
SMILES
COC1=C(C(=C(C=C1)F)S(=O)(=O)Cl)C#N
InChI
InChI=1S/C8H5ClFNO3S/c1-14-7-3-2-6(10)8(5(7)4-11)15(9,12)13/h2-3H,1H3
InChIKey
DYIYJPHEAAGWOW-UHFFFAOYSA-N
Compound name
2-cyano-6-fluoro-3-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.96626 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.97354 150.0
[M+Na]+ 271.95548 163.5
[M-H]- 247.95898 153.9
[M+NH4]+ 267.00008 167.5
[M+K]+ 287.92942 159.5
[M+H-H2O]+ 231.96352 138.8
[M+HCOO]- 293.96446 160.8
[M+CH3COO]- 307.98011 199.6
[M+Na-2H]- 269.94093 152.9
[M]+ 248.96571 150.3
[M]- 248.96681 150.3
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.