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
4
Annotation Hits

1
References

1430
Patents

145.94568 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.952956 121.6
[M+Na]+ 168.934898 130.5
[M-H]- 144.938404 120.6
[M+NH4]+ 163.979503 143.9
[M+K]+ 184.908838 126.8
[M+H-H2O]+ 128.942940 120.5
[M+HCOO]- 190.943881 129.4
[M+CH3COO]- 204.959531 175.0
[M+Na-2H]- 166.920346 125.7
[M]+ 145.94513142 122.8
[M]- 145.94622858 122.8
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