CID 11733

1,1,2-trichloropropane

Structural Information

Molecular Formula
C3H5Cl3
SMILES
CC(C(Cl)Cl)Cl
InChI
InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3
InChIKey
GRSQYISVQKPZCW-UHFFFAOYSA-N
Compound name
1,1,2-trichloropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

560
Patents

145.94568 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95296 123.3
[M+Na]+ 168.93490 136.0
[M+NH4]+ 163.97950 132.8
[M+K]+ 184.90884 129.5
[M-H]- 144.93840 123.2
[M+Na-2H]- 166.92035 128.5
[M]+ 145.94513 125.9
[M]- 145.94623 125.9
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