CID 11034248

2-bromo-4,5-dimethoxybenzyl bromide

Structural Information

Molecular Formula
C9H10Br2O2
SMILES
COC1=C(C=C(C(=C1)CBr)Br)OC
InChI
InChI=1S/C9H10Br2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,5H2,1-2H3
InChIKey
PAJNRELOTRXFAQ-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

307.90475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.91203 141.3
[M+Na]+ 330.89397 152.9
[M-H]- 306.89747 148.4
[M+NH4]+ 325.93857 160.6
[M+K]+ 346.86791 138.2
[M+H-H2O]+ 290.90201 149.2
[M+HCOO]- 352.90295 158.1
[M+CH3COO]- 366.91860 205.6
[M+Na-2H]- 328.87942 148.2
[M]+ 307.90420 178.0
[M]- 307.90530 178.0
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