CID 13331555

1,3-bis(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6F4O2
SMILES
C1=CC(=CC(=C1)OC(F)F)OC(F)F
InChI
InChI=1S/C8H6F4O2/c9-7(10)13-5-2-1-3-6(4-5)14-8(11)12/h1-4,7-8H
InChIKey
WKUYZOKJVGOZNE-UHFFFAOYSA-N
Compound name
1,3-bis(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

210.0304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03768 147.8
[M+Na]+ 233.01962 155.6
[M+NH4]+ 228.06422 152.5
[M+K]+ 248.99356 151.0
[M-H]- 209.02312 143.6
[M+Na-2H]- 231.00507 150.8
[M]+ 210.02985 147.3
[M]- 210.03095 147.3
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