CID 3016662

2-methoxynaphthalene-1-carbonyl chloride

Structural Information

Molecular Formula
C12H9ClO2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C(=O)Cl
InChI
InChI=1S/C12H9ClO2/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKey
SXPBNKRSGVLWJQ-UHFFFAOYSA-N
Compound name
2-methoxynaphthalene-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

220.02911 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.036386 142.4
[M+Na]+ 243.018328 152.7
[M-H]- 219.021834 147.4
[M+NH4]+ 238.062933 163.1
[M+K]+ 258.992268 148.4
[M+H-H2O]+ 203.026370 137.4
[M+HCOO]- 265.027311 161.0
[M+CH3COO]- 279.042961 187.9
[M+Na-2H]- 241.003776 149.3
[M]+ 220.02856142 146.7
[M]- 220.02965858 146.7
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

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