CID 6591

1,1,2,2-tetrachloroethane

Structural Information

Molecular Formula
C2H2Cl4
SMILES
C(C(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
InChIKey
QPFMBZIOSGYJDE-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrachloroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

135
References

128045
Patents

165.89107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.898346 124.5
[M+Na]+ 188.880288 133.1
[M-H]- 164.883794 121.9
[M+NH4]+ 183.924893 145.1
[M+K]+ 204.854228 129.0
[M+H-H2O]+ 148.888330 123.9
[M+HCOO]- 210.889271 126.9
[M+CH3COO]- 224.904921 178.9
[M+Na-2H]- 186.865736 127.6
[M]+ 165.89052142 124.1
[M]- 165.89161858 124.1
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

patents stripe