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

37916
Patents

165.89107 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.89835 127.5
[M+Na]+ 188.88029 136.9
[M-H]- 164.88379 125.1
[M+NH4]+ 183.92489 148.3
[M+K]+ 204.85423 132.4
[M+H-H2O]+ 148.88833 126.8
[M+HCOO]- 210.88927 130.0
[M+CH3COO]- 224.90492 177.1
[M+Na-2H]- 186.86574 133.0
[M]+ 165.89052 127.4
[M]- 165.89162 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