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

108
Patents

210.0304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.037676 136.5
[M+Na]+ 233.019618 144.8
[M-H]- 209.023124 135.1
[M+NH4]+ 228.064223 155.0
[M+K]+ 248.993558 143.4
[M+H-H2O]+ 193.027660 127.2
[M+HCOO]- 255.028601 155.5
[M+CH3COO]- 269.044251 186.3
[M+Na-2H]- 231.005066 139.6
[M]+ 210.02985142 133.3
[M]- 210.03094858 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