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

324
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 123.4
[M+Na]+ 168.93490 133.1
[M-H]- 144.93840 122.5
[M+NH4]+ 163.97950 145.9
[M+K]+ 184.90884 129.0
[M+H-H2O]+ 128.94294 122.3
[M+HCOO]- 190.94388 131.4
[M+CH3COO]- 204.95953 173.7
[M+Na-2H]- 166.92035 130.2
[M]+ 145.94513 125.1
[M]- 145.94623 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.