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
9
Annotation Hits

656
References

125063
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 118.8
[M+Na]+ 154.91926 128.9
[M-H]- 130.92276 118.0
[M+NH4]+ 149.96386 141.8
[M+K]+ 170.89320 125.0
[M+H-H2O]+ 114.92730 117.9
[M+HCOO]- 176.92824 127.1
[M+CH3COO]- 190.94389 170.8
[M+Na-2H]- 152.90471 126.1
[M]+ 131.92949 120.1
[M]- 131.93059 120.1
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