CID 3017617

Cyclododecyl chloroformate

Structural Information

Molecular Formula

C₁₃H₂₃ClO₂

SMILES

C1CCCCCC(CCCCC1)OC(=O)Cl

InChI

InChI=1S/C13H23ClO2/c14-13(15)16-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2

InChIKey

RUVAAQJZCQKNAU-UHFFFAOYSA-N

Compound name

cyclododecyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 246.13866 Da
Monoisotopic Mass: 6.2
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]+	247.145936	157.4
[M+Na]+	269.127878	159.7
[M-H]-	245.131384	157.0
[M+NH4]+	264.172483	172.2
[M+K]+	285.101818	157.7
[M+H-H2O]+	229.135920	154.9
[M+HCOO]-	291.136861	168.7
[M+CH3COO]-	305.152511	183.9
[M+Na-2H]-	267.113326	157.2
[M]+	246.13811142	149.6
[M]-	246.13920858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe