CID 108679

55150-29-3

Structural Information

Molecular Formula
C13H11ClO2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)C(=O)Cl
InChI
InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
InChIKey
ZRVFFIXOCFUHDA-UHFFFAOYSA-N
Compound name
2-ethoxynaphthalene-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

188
Patents

234.04475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05203 147.3
[M+Na]+ 257.03397 157.1
[M-H]- 233.03747 152.0
[M+NH4]+ 252.07857 167.4
[M+K]+ 273.00791 152.5
[M+H-H2O]+ 217.04201 142.0
[M+HCOO]- 279.04295 165.5
[M+CH3COO]- 293.05860 190.9
[M+Na-2H]- 255.01942 153.6
[M]+ 234.04420 151.9
[M]- 234.04530 151.9
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