CID 94429

Triphosgene

Structural Information

Molecular Formula

SMILES

C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

InChI

InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

InChIKey

UCPYLLCMEDAXFR-UHFFFAOYSA-N

Compound name

bis(trichloromethyl) carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 71
References: 76703
Patents: 293.79785 Da
Monoisotopic Mass: 4.4
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]+	294.805126	155.9
[M+Na]+	316.787068	162.9
[M-H]-	292.790574	150.7
[M+NH4]+	311.831673	169.7
[M+K]+	332.761008	160.3
[M+H-H2O]+	276.795110	155.5
[M+HCOO]-	338.796051	146.4
[M+CH3COO]-	352.811701	197.5
[M+Na-2H]-	314.772516	156.7
[M]+	293.79730142	153.7
[M]-	293.79839858	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe