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

9
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 145.7
[M+Na]+ 274.96781 158.9
[M-H]- 250.97131 151.2
[M+NH4]+ 270.01241 166.9
[M+K]+ 290.94175 146.8
[M+H-H2O]+ 234.97585 146.5
[M+HCOO]- 296.97679 164.3
[M+CH3COO]- 310.99244 188.5
[M+Na-2H]- 272.95326 153.0
[M]+ 251.97804 164.3
[M]- 251.97914 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