CID 4119143

1,4-bis(bromomethyl)-2,5-dimethoxybenzene

Structural Information

Molecular Formula
C10H12Br2O2
SMILES
COC1=CC(=C(C=C1CBr)OC)CBr
InChI
InChI=1S/C10H12Br2O2/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-4H,5-6H2,1-2H3
InChIKey
YONSJCAXAJEYGM-UHFFFAOYSA-N
Compound name
1,4-bis(bromomethyl)-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

321.9204 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.92768 145.5
[M+Na]+ 344.90962 156.8
[M-H]- 320.91312 152.4
[M+NH4]+ 339.95422 164.4
[M+K]+ 360.88356 141.9
[M+H-H2O]+ 304.91766 153.2
[M+HCOO]- 366.91860 162.0
[M+CH3COO]- 380.93425 207.8
[M+Na-2H]- 342.89507 151.9
[M]+ 321.91985 182.5
[M]- 321.92095 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe