CID 13102054

2-bromo-1-(naphthalen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H11BrO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(CBr)O
InChI
InChI=1S/C12H11BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14H,8H2
InChIKey
HDRFYKFGBRXGRR-UHFFFAOYSA-N
Compound name
2-bromo-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

249.99933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00661 148.6
[M+Na]+ 272.98855 159.1
[M-H]- 248.99205 154.3
[M+NH4]+ 268.03315 169.7
[M+K]+ 288.96249 147.5
[M+H-H2O]+ 232.99659 149.0
[M+HCOO]- 294.99753 167.3
[M+CH3COO]- 309.01318 189.3
[M+Na-2H]- 270.97400 156.6
[M]+ 249.99878 166.2
[M]- 249.99988 166.2
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