CID 24622

Trichloropropane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6367
Patents

145.94568 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95296 124.9
[M+Na]+ 168.93490 138.0
[M+NH4]+ 163.97950 134.4
[M+K]+ 184.90884 131.0
[M-H]- 144.93840 124.6
[M+Na-2H]- 166.92035 130.6
[M]+ 145.94513 127.6
[M]- 145.94623 127.6
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