CID 31373

Tetrachloroethylene

Structural Information

Molecular Formula
C2Cl4
SMILES
C(=C(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C2Cl4/c3-1(4)2(5)6
InChIKey
CYTYCFOTNPOANT-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrachloroethene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2236
References

126271
Patents

163.87541 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.88269 123.9
[M+Na]+ 186.86463 132.9
[M-H]- 162.86813 121.4
[M+NH4]+ 181.90923 144.6
[M+K]+ 202.83857 128.3
[M+H-H2O]+ 146.87267 123.4
[M+HCOO]- 208.87361 126.5
[M+CH3COO]- 222.88926 177.4
[M+Na-2H]- 184.85008 127.0
[M]+ 163.87486 122.9
[M]- 163.87596 122.9
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