CID 63325779

2-(bromomethyl)-1-(difluoromethoxy)-4-methylbenzene

Structural Information

Molecular Formula
C9H9BrF2O
SMILES
CC1=CC(=C(C=C1)OC(F)F)CBr
InChI
InChI=1S/C9H9BrF2O/c1-6-2-3-8(13-9(11)12)7(4-6)5-10/h2-4,9H,5H2,1H3
InChIKey
DFUQHHVGPOKVLS-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-(difluoromethoxy)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

249.98048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.987756 145.5
[M+Na]+ 272.969698 157.6
[M-H]- 248.973204 149.6
[M+NH4]+ 268.014303 166.6
[M+K]+ 288.943638 146.7
[M+H-H2O]+ 232.977740 144.1
[M+HCOO]- 294.978681 164.7
[M+CH3COO]- 308.994331 191.9
[M+Na-2H]- 270.955146 150.6
[M]+ 249.97993142 163.1
[M]- 249.98102858 163.1
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