CID 2769568

1,2-bis(difluoromethoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

210.0304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03768 136.5
[M+Na]+ 233.01962 144.8
[M-H]- 209.02312 135.1
[M+NH4]+ 228.06422 155.0
[M+K]+ 248.99356 143.4
[M+H-H2O]+ 193.02766 127.2
[M+HCOO]- 255.02860 155.5
[M+CH3COO]- 269.04425 186.3
[M+Na-2H]- 231.00507 139.6
[M]+ 210.02985 133.3
[M]- 210.03095 133.3
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