CID 56773875

1,4-dibromo-3-methoxynaphthalen-2-ol

Structural Information

Molecular Formula
C11H8Br2O2
SMILES
COC1=C(C2=CC=CC=C2C(=C1O)Br)Br
InChI
InChI=1S/C11H8Br2O2/c1-15-11-9(13)7-5-3-2-4-6(7)8(12)10(11)14/h2-5,14H,1H3
InChIKey
JSEYBJXZSRIZSK-UHFFFAOYSA-N
Compound name
1,4-dibromo-3-methoxynaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.8891 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.89638 147.1
[M+Na]+ 352.87832 158.8
[M-H]- 328.88182 154.0
[M+NH4]+ 347.92292 165.9
[M+K]+ 368.85226 143.7
[M+H-H2O]+ 312.88636 155.4
[M+HCOO]- 374.88730 162.0
[M+CH3COO]- 388.90295 207.1
[M+Na-2H]- 350.86377 154.3
[M]+ 329.88855 182.3
[M]- 329.88965 182.3
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

No patent data available for this compound.