CID 83000858

(1r)-2-chloro-1-(naphthalen-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H11ClO
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@H](CCl)O
InChI
InChI=1S/C12H11ClO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H,8H2/t12-/m0/s1
InChIKey
MUYMUPWUEDFMCO-LBPRGKRZSA-N
Compound name
(1R)-2-chloro-1-naphthalen-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04984 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05712 141.2
[M+Na]+ 229.03906 149.9
[M-H]- 205.04256 144.4
[M+NH4]+ 224.08366 161.6
[M+K]+ 245.01300 144.7
[M+H-H2O]+ 189.04710 136.5
[M+HCOO]- 251.04804 157.9
[M+CH3COO]- 265.06369 183.0
[M+Na-2H]- 227.02451 148.3
[M]+ 206.04929 142.5
[M]- 206.05039 142.5
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

No patent data available for this compound.