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 135.9
[M+Na]+ 248.98037 147.6
[M-H]- 224.98387 137.0
[M+NH4]+ 244.02497 155.1
[M+K]+ 264.95431 144.6
[M+H-H2O]+ 208.98841 128.3
[M+HCOO]- 270.98935 152.1
[M+CH3COO]- 285.00500 185.6
[M+Na-2H]- 246.96582 139.0
[M]+ 225.99060 137.4
[M]- 225.99170 137.4
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.