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

5586
References

101223
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

literature stripe

Patent stripe

patents stripe