CID 6278

1,1,1-trichloroethane

Structural Information

Molecular Formula
C2H3Cl3
SMILES
CC(Cl)(Cl)Cl
InChI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
InChIKey
UOCLXMDMGBRAIB-UHFFFAOYSA-N
Compound name
1,1,1-trichloroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

655
References

70290
Patents

131.93004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.93732 120.5
[M+Na]+ 154.91926 133.8
[M+NH4]+ 149.96386 130.2
[M+K]+ 170.89320 127.0
[M-H]- 130.92276 120.2
[M+Na-2H]- 152.90471 126.4
[M]+ 131.92949 123.2
[M]- 131.93059 123.2
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