CID 5106606

2,2,2-trichloro-1,1-dimethylethyl chloroformate

Structural Information

Molecular Formula
C5H6Cl4O2
SMILES
CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl
InChI
InChI=1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3
InChIKey
GMELMFSDPDSXOZ-UHFFFAOYSA-N
Compound name
(1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

237.91219 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91947 142.7
[M+Na]+ 260.90141 151.6
[M-H]- 236.90491 141.0
[M+NH4]+ 255.94601 161.2
[M+K]+ 276.87535 147.5
[M+H-H2O]+ 220.90945 142.1
[M+HCOO]- 282.91039 143.1
[M+CH3COO]- 296.92604 188.3
[M+Na-2H]- 258.88686 146.8
[M]+ 237.91164 145.1
[M]- 237.91274 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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