CID 18505

1,2,2-trichloropropane

Structural Information

Molecular Formula
C3H5Cl3
SMILES
CC(CCl)(Cl)Cl
InChI
InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3
InChIKey
DAIIXVPKQATIMF-UHFFFAOYSA-N
Compound name
1,2,2-trichloropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

325
Patents

145.94568 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95296 124.8
[M+Na]+ 168.93490 137.9
[M+NH4]+ 163.97950 134.3
[M+K]+ 184.90884 130.9
[M-H]- 144.93840 124.5
[M+Na-2H]- 166.92035 130.5
[M]+ 145.94513 127.5
[M]- 145.94623 127.5
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