CID 222454

26177-06-0

Structural Information

Molecular Formula

C₁₂H₉ClO₂

SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=O)CCl

InChI

InChI=1S/C12H9ClO2/c13-8-12(14)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

InChIKey

DQHZHTWQJQJIKE-UHFFFAOYSA-N

Compound name

naphthalen-2-yl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 220.02911 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.036386	143.1
[M+Na]+	243.018328	152.6
[M-H]-	219.021834	147.8
[M+NH4]+	238.062933	163.6
[M+K]+	258.992268	148.2
[M+H-H2O]+	203.026370	137.9
[M+HCOO]-	265.027311	161.8
[M+CH3COO]-	279.042961	186.1
[M+Na-2H]-	241.003776	150.7
[M]+	220.02856142	146.9
[M]-	220.02965858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe