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]+	221.03639	143.1
[M+Na]+	243.01833	152.6
[M-H]-	219.02183	147.8
[M+NH4]+	238.06293	163.6
[M+K]+	258.99227	148.2
[M+H-H2O]+	203.02637	137.9
[M+HCOO]-	265.02731	161.8
[M+CH3COO]-	279.04296	186.1
[M+Na-2H]-	241.00378	150.7
[M]+	220.02856	146.9
[M]-	220.02966	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe