CID 12459

1-chloro-2-naphthol

Structural Information

Molecular Formula
C10H7ClO
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)O
InChI
InChI=1S/C10H7ClO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H
InChIKey
RMSOEGBYNWXXBG-UHFFFAOYSA-N
Compound name
1-chloronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3254
Patents

178.01854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02582 131.3
[M+Na]+ 201.00776 147.8
[M+NH4]+ 196.05236 142.2
[M+K]+ 216.98170 139.3
[M-H]- 177.01126 135.2
[M+Na-2H]- 198.99321 140.2
[M]+ 178.01799 135.3
[M]- 178.01909 135.3
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