CID 137698786

2,6-difluoro-4-methoxybenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H5F3O3S
SMILES
COC1=CC(=C(C(=C1)F)S(=O)(=O)F)F
InChI
InChI=1S/C7H5F3O3S/c1-13-4-2-5(8)7(6(9)3-4)14(10,11)12/h2-3H,1H3
InChIKey
IQSJUDPODVNCDT-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-methoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99115 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99843 149.2
[M+Na]+ 248.98037 158.5
[M+NH4]+ 244.02497 154.4
[M+K]+ 264.95431 152.3
[M-H]- 224.98387 145.6
[M+Na-2H]- 246.96582 152.0
[M]+ 225.99060 149.6
[M]- 225.99170 149.6
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.