CID 43141733

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

Structural Information

Molecular Formula
C9H9BrF2O2
SMILES
COC1=C(C=CC(=C1)CBr)OC(F)F
InChI
InChI=1S/C9H9BrF2O2/c1-13-8-4-6(5-10)2-3-7(8)14-9(11)12/h2-4,9H,5H2,1H3
InChIKey
CEEHMLARGLIAER-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-(difluoromethoxy)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.9754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98268 148.3
[M+Na]+ 288.96462 160.2
[M-H]- 264.96812 152.3
[M+NH4]+ 284.00922 168.7
[M+K]+ 304.93856 149.8
[M+H-H2O]+ 248.97266 146.6
[M+HCOO]- 310.97360 167.6
[M+CH3COO]- 324.98925 193.7
[M+Na-2H]- 286.95007 153.4
[M]+ 265.97485 167.3
[M]- 265.97595 167.3
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