CID 6574

1,1,2-trichloroethane

Structural Information

Molecular Formula
C2H3Cl3
SMILES
C(C(Cl)Cl)Cl
InChI
InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
InChIKey
UBOXGVDOUJQMTN-UHFFFAOYSA-N
Compound name
1,1,2-trichloroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

99
References

139506
Patents

131.93004 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.93732 117.7
[M+Na]+ 154.91926 127.2
[M-H]- 130.92276 116.6
[M+NH4]+ 149.96386 140.5
[M+K]+ 170.89320 123.4
[M+H-H2O]+ 114.92730 116.6
[M+HCOO]- 176.92824 126.6
[M+CH3COO]- 190.94389 171.3
[M+Na-2H]- 152.90471 123.5
[M]+ 131.92949 119.0
[M]- 131.93059 119.0
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