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

344
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

literature stripe

Patent stripe

patents stripe