CID 3017805

2-chloro-6-methoxynaphthalene

Structural Information

Molecular Formula
C11H9ClO
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)Cl
InChI
InChI=1S/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
InChIKey
DFJBXCAVJOGNDS-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

192.0342 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.041476 135.8
[M+Na]+ 215.023418 146.6
[M-H]- 191.026924 140.8
[M+NH4]+ 210.068023 157.8
[M+K]+ 230.997358 142.1
[M+H-H2O]+ 175.031460 131.0
[M+HCOO]- 237.032401 155.4
[M+CH3COO]- 251.048051 182.9
[M+Na-2H]- 213.008866 144.5
[M]+ 192.03365142 139.5
[M]- 192.03474858 139.5
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

patents stripe