CID 94397

28693-00-7

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂

SMILES

C1C2CC(C1C=C2)COC(=O)CCl

InChI

InChI=1S/C10H13ClO2/c11-5-10(12)13-6-9-4-7-1-2-8(9)3-7/h1-2,7-9H,3-6H2

InChIKey

YEQPPBCBKNMCKW-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 187
Patents: 200.06041 Da
Monoisotopic Mass: 2.4
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]+	201.06769	147.0
[M+Na]+	223.04963	155.3
[M-H]-	199.05313	149.8
[M+NH4]+	218.09423	172.3
[M+K]+	239.02357	151.8
[M+H-H2O]+	183.05767	143.4
[M+HCOO]-	245.05861	164.4
[M+CH3COO]-	259.07426	182.4
[M+Na-2H]-	221.03508	149.3
[M]+	200.05986	150.2
[M]-	200.06096	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe