CID 22397419

1-bromo-3-methoxynaphthalen-2-ol

Structural Information

Molecular Formula
C11H9BrO2
SMILES
COC1=CC2=CC=CC=C2C(=C1O)Br
InChI
InChI=1S/C11H9BrO2/c1-14-9-6-7-4-2-3-5-8(7)10(12)11(9)13/h2-6,13H,1H3
InChIKey
WQTNUNHZFJXLNX-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxynaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

251.97859 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98587 145.3
[M+Na]+ 274.96781 158.1
[M-H]- 250.97131 151.8
[M+NH4]+ 270.01241 166.9
[M+K]+ 290.94175 146.8
[M+H-H2O]+ 234.97585 145.8
[M+HCOO]- 296.97679 165.4
[M+CH3COO]- 310.99244 189.7
[M+Na-2H]- 272.95326 153.7
[M]+ 251.97804 165.3
[M]- 251.97914 165.3
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