CID 12277438

Ethane, 1,1,1,2-tetrachloro-2-isocyanato-

Structural Information

Molecular Formula
C3HCl4NO
SMILES
C(=NC(C(Cl)(Cl)Cl)Cl)=O
InChI
InChI=1S/C3HCl4NO/c4-2(8-1-9)3(5,6)7/h2H
InChIKey
FHKUICFKULHZGP-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloro-2-isocyanatoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

206.88123 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.88851 137.6
[M+Na]+ 229.87045 146.7
[M-H]- 205.87395 136.7
[M+NH4]+ 224.91505 157.2
[M+K]+ 245.84439 142.4
[M+H-H2O]+ 189.87849 136.4
[M+HCOO]- 251.87943 142.1
[M+CH3COO]- 265.89508 186.5
[M+Na-2H]- 227.85590 142.1
[M]+ 206.88068 138.8
[M]- 206.88178 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.