CID 118834568

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

251.95975 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.967026 143.5
[M+Na]+ 274.948968 155.9
[M-H]- 250.952474 147.7
[M+NH4]+ 269.993573 164.5
[M+K]+ 290.922908 145.7
[M+H-H2O]+ 234.957010 142.1
[M+HCOO]- 296.957951 163.2
[M+CH3COO]- 310.973601 190.9
[M+Na-2H]- 272.934416 149.2
[M]+ 251.95920142 162.2
[M]- 251.96029858 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