CID 165694148

2742661-01-2

Structural Information

Molecular Formula
C7H5F3O3S
SMILES
C1=CC(=C(C(=C1)F)S(=O)O)OC(F)F
InChI
InChI=1S/C7H5F3O3S/c8-4-2-1-3-5(13-7(9)10)6(4)14(11)12/h1-3,7H,(H,11,12)
InChIKey
AIZDCKCTLXCTJA-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-6-fluorobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.99115 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99843 136.9
[M+Na]+ 248.98037 146.0
[M-H]- 224.98387 135.9
[M+NH4]+ 244.02497 154.8
[M+K]+ 264.95431 143.2
[M+H-H2O]+ 208.98841 128.8
[M+HCOO]- 270.98935 150.8
[M+CH3COO]- 285.00500 184.1
[M+Na-2H]- 246.96582 137.1
[M]+ 225.99060 136.1
[M]- 225.99170 136.1
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.