CID 19931076

Cycloheptyl chloroformate

Structural Information

Molecular Formula

C₈H₁₃ClO₂

SMILES

C1CCCC(CC1)OC(=O)Cl

InChI

InChI=1S/C8H13ClO2/c9-8(10)11-7-5-3-1-2-4-6-7/h7H,1-6H2

InChIKey

DOSVNAJYHYHGJA-UHFFFAOYSA-N

Compound name

cycloheptyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 176.06041 Da
Monoisotopic Mass: 3.5
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]+	177.06769	130.5
[M+Na]+	199.04963	134.8
[M-H]-	175.05313	134.0
[M+NH4]+	194.09423	149.8
[M+K]+	215.02357	137.1
[M+H-H2O]+	159.05767	126.1
[M+HCOO]-	221.05861	145.8
[M+CH3COO]-	235.07426	178.8
[M+Na-2H]-	197.03508	134.6
[M]+	176.05986	125.9
[M]-	176.06096	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe