CID 22240133

627527-19-9

Structural Information

Molecular Formula
C11H9BrO
SMILES
C1=CC(=CC2=C1C=CC(=C2)Br)CO
InChI
InChI=1S/C11H9BrO/c12-11-4-3-9-2-1-8(7-13)5-10(9)6-11/h1-6,13H,7H2
InChIKey
YLFSBYGBYCQPIN-UHFFFAOYSA-N
Compound name
(7-bromonaphthalen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

235.98367 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe