CID 27977

2-naphthol, 6-bromo-1-methyl-

Structural Information

Molecular Formula
C11H9BrO
SMILES
CC1=C(C=CC2=C1C=CC(=C2)Br)O
InChI
InChI=1S/C11H9BrO/c1-7-10-4-3-9(12)6-8(10)2-5-11(7)13/h2-6,13H,1H3
InChIKey
YNZVWWALVATSDE-UHFFFAOYSA-N
Compound name
6-bromo-1-methylnaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

235.98367 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99095 142.3
[M+Na]+ 258.97289 155.4
[M-H]- 234.97639 148.9
[M+NH4]+ 254.01749 164.7
[M+K]+ 274.94683 143.5
[M+H-H2O]+ 218.98093 143.2
[M+HCOO]- 280.98187 162.3
[M+CH3COO]- 294.99752 187.8
[M+Na-2H]- 256.95834 150.8
[M]+ 235.98312 161.0
[M]- 235.98422 161.0
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