CID 6575

Trichloroethylene

Structural Information

Molecular Formula
C2HCl3
SMILES
C(=C(Cl)Cl)Cl
InChI
InChI=1S/C2HCl3/c3-1-2(4)5/h1H
InChIKey
XSTXAVWGXDQKEL-UHFFFAOYSA-N
Compound name
1,1,2-trichloroethene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

5589
References

115589
Patents

129.91438 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.92166 116.9
[M+Na]+ 152.90360 126.8
[M-H]- 128.90710 116.0
[M+NH4]+ 147.94820 139.8
[M+K]+ 168.87754 122.4
[M+H-H2O]+ 112.91164 115.9
[M+HCOO]- 174.91258 126.0
[M+CH3COO]- 188.92823 169.8
[M+Na-2H]- 150.88905 122.7
[M]+ 129.91383 117.5
[M]- 129.91493 117.5
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.