CID 66824770

4-bromo-2-(difluoromethoxy)-1-methoxybenzene

Structural Information

Molecular Formula
C8H7BrF2O2
SMILES
COC1=C(C=C(C=C1)Br)OC(F)F
InChI
InChI=1S/C8H7BrF2O2/c1-12-6-3-2-5(9)4-7(6)13-8(10)11/h2-4,8H,1H3
InChIKey
OIJNZBGLCOFKSH-UHFFFAOYSA-N
Compound name
4-bromo-2-(difluoromethoxy)-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

251.95975 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96703 143.5
[M+Na]+ 274.94897 155.9
[M-H]- 250.95247 147.7
[M+NH4]+ 269.99357 164.5
[M+K]+ 290.92291 145.7
[M+H-H2O]+ 234.95701 142.1
[M+HCOO]- 296.95795 163.2
[M+CH3COO]- 310.97360 190.9
[M+Na-2H]- 272.93442 149.2
[M]+ 251.95920 162.2
[M]- 251.96030 162.2
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