CID 84711732

1-bromo-2-(difluoromethyl)-4,5-dimethoxybenzene

Structural Information

Molecular Formula
C9H9BrF2O2
SMILES
COC1=C(C=C(C(=C1)C(F)F)Br)OC
InChI
InChI=1S/C9H9BrF2O2/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4,9H,1-2H3
InChIKey
MTCXGJPIWNYTRS-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethyl)-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9754 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98268 147.4
[M+Na]+ 288.96462 160.2
[M-H]- 264.96812 151.8
[M+NH4]+ 284.00922 168.1
[M+K]+ 304.93856 149.8
[M+H-H2O]+ 248.97266 145.9
[M+HCOO]- 310.97360 166.8
[M+CH3COO]- 324.98925 194.8
[M+Na-2H]- 286.95007 151.9
[M]+ 265.97485 166.7
[M]- 265.97595 166.7
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

No patent data available for this compound.