CID 12418

1,1,1,2-tetrachloroethane

Structural Information

Molecular Formula
C2H2Cl4
SMILES
C(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
InChIKey
QVLAWKAXOMEXPM-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrachloroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

67
References

51109
Patents

165.89107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.898346 127.5
[M+Na]+ 188.880288 136.9
[M-H]- 164.883794 125.1
[M+NH4]+ 183.924893 148.3
[M+K]+ 204.854228 132.4
[M+H-H2O]+ 148.888330 126.8
[M+HCOO]- 210.889271 130.0
[M+CH3COO]- 224.904921 177.1
[M+Na-2H]- 186.865736 133.0
[M]+ 165.89052142 127.4
[M]- 165.89161858 127.4
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

patents stripe