CID 53406129

207738-03-2

Structural Information

Molecular Formula
C6H2F4O2
SMILES
C1=CC(=C(C(=C1OF)F)OF)F
InChI
InChI=1S/C6H2F4O2/c7-3-1-2-4(11-9)5(8)6(3)12-10/h1-2H
InChIKey
YVBIVJAINCPQBZ-UHFFFAOYSA-N
Compound name
(2,4-difluoro-3-fluorooxyphenyl) hypofluorite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

181.99908 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00636 125.2
[M+Na]+ 204.98830 136.8
[M-H]- 180.99180 124.7
[M+NH4]+ 200.03290 145.6
[M+K]+ 220.96224 135.0
[M+H-H2O]+ 164.99634 116.6
[M+HCOO]- 226.99728 146.9
[M+CH3COO]- 241.01293 180.9
[M+Na-2H]- 202.97375 130.6
[M]+ 181.99853 123.3
[M]- 181.99963 123.3
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

patents stripe