CID 10355271

5-(bromomethyl)-1,2,3-trimethoxybenzene

Structural Information

Molecular Formula
C10H13BrO3
SMILES
COC1=CC(=CC(=C1OC)OC)CBr
InChI
InChI=1S/C10H13BrO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
InChIKey
QEGDRYOJTONTLO-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,2,3-trimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

260.00482 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01210 146.2
[M+Na]+ 282.99404 158.7
[M-H]- 258.99754 153.0
[M+NH4]+ 278.03864 167.4
[M+K]+ 298.96798 149.1
[M+H-H2O]+ 243.00208 146.1
[M+HCOO]- 305.00302 168.4
[M+CH3COO]- 319.01867 193.6
[M+Na-2H]- 280.97949 152.8
[M]+ 260.00427 170.1
[M]- 260.00537 170.1
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