CID 16217848

1-bromo-2,3-dimethoxynaphthalene

Structural Information

Molecular Formula
C12H11BrO2
SMILES
COC1=CC2=CC=CC=C2C(=C1OC)Br
InChI
InChI=1S/C12H11BrO2/c1-14-10-7-8-5-3-4-6-9(8)11(13)12(10)15-2/h3-7H,1-2H3
InChIKey
XZZRGEPWNYCNGI-UHFFFAOYSA-N
Compound name
1-bromo-2,3-dimethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

265.99423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00151 149.2
[M+Na]+ 288.98345 162.0
[M-H]- 264.98695 156.8
[M+NH4]+ 284.02805 171.0
[M+K]+ 304.95739 151.5
[M+H-H2O]+ 248.99149 149.3
[M+HCOO]- 310.99243 170.4
[M+CH3COO]- 325.00808 194.9
[M+Na-2H]- 286.96890 157.6
[M]+ 265.99368 171.2
[M]- 265.99478 171.2
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