CID 5184557

2-bromo-3-methyl-1,4-naphthalenediol

Structural Information

Molecular Formula
C11H9BrO2
SMILES
CC1=C(C2=CC=CC=C2C(=C1Br)O)O
InChI
InChI=1S/C11H9BrO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5,13-14H,1H3
InChIKey
RKLZIYSQSHJQFC-UHFFFAOYSA-N
Compound name
2-bromo-3-methylnaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

251.97859 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.985866 145.7
[M+Na]+ 274.967808 158.9
[M-H]- 250.971314 151.2
[M+NH4]+ 270.012413 166.9
[M+K]+ 290.941748 146.8
[M+H-H2O]+ 234.975850 146.5
[M+HCOO]- 296.976791 164.3
[M+CH3COO]- 310.992441 188.5
[M+Na-2H]- 272.953256 153.0
[M]+ 251.97804142 164.3
[M]- 251.97913858 164.3
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