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

2
Patents

251.95975 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96703 148.7
[M+Na]+ 274.94897 151.0
[M+NH4]+ 269.99357 152.3
[M+K]+ 290.92291 151.0
[M-H]- 250.95247 146.6
[M+Na-2H]- 272.93442 150.7
[M]+ 251.95920 147.2
[M]- 251.96030 147.2
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