CID 15764398

7693-50-7

Structural Information

Molecular Formula

C₁₁H₇ClO₂

SMILES

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

InChI

InChI=1S/C11H7ClO2/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

KDUFRLUGTLSJKD-UHFFFAOYSA-N

Compound name

naphthalen-2-yl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 242
Patents: 206.01346 Da
Monoisotopic Mass: 3.8
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]+	207.02074	138.3
[M+Na]+	229.00268	148.2
[M-H]-	205.00618	143.2
[M+NH4]+	224.04728	159.3
[M+K]+	244.97662	144.1
[M+H-H2O]+	189.01072	133.3
[M+HCOO]-	251.01166	157.3
[M+CH3COO]-	265.02731	183.1
[M+Na-2H]-	226.98813	146.5
[M]+	206.01291	141.8
[M]-	206.01401	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe