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]+ 250.98776 145.5
[M+Na]+ 272.96970 157.6
[M-H]- 248.97320 149.6
[M+NH4]+ 268.01430 166.6
[M+K]+ 288.94364 146.7
[M+H-H2O]+ 232.97774 144.1
[M+HCOO]- 294.97868 164.7
[M+CH3COO]- 308.99433 191.9
[M+Na-2H]- 270.95515 150.6
[M]+ 249.97993 163.1
[M]- 249.98103 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