CID 264948

(3-bromonaphthalen-2-yl)methanol

Structural Information

Molecular Formula
C11H9BrO
SMILES
C1=CC=C2C=C(C(=CC2=C1)CO)Br
InChI
InChI=1S/C11H9BrO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6,13H,7H2
InChIKey
SVKXZNONPPZYOT-UHFFFAOYSA-N
Compound name
(3-bromonaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

235.98367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99095 142.8
[M+Na]+ 258.97289 155.0
[M-H]- 234.97639 149.0
[M+NH4]+ 254.01749 164.9
[M+K]+ 274.94683 143.1
[M+H-H2O]+ 218.98093 143.5
[M+HCOO]- 280.98187 162.8
[M+CH3COO]- 294.99752 186.7
[M+Na-2H]- 256.95834 151.9
[M]+ 235.98312 161.1
[M]- 235.98422 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe