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

127648
Patents

165.89107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.89835 124.5
[M+Na]+ 188.88029 133.1
[M-H]- 164.88379 121.9
[M+NH4]+ 183.92489 145.1
[M+K]+ 204.85423 129.0
[M+H-H2O]+ 148.88833 123.9
[M+HCOO]- 210.88927 126.9
[M+CH3COO]- 224.90492 178.9
[M+Na-2H]- 186.86574 127.6
[M]+ 165.89052 124.1
[M]- 165.89162 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.