CID 7285

1,2,3-trichloropropane

Structural Information

Molecular Formula
C3H5Cl3
SMILES
C(C(CCl)Cl)Cl
InChI
InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
InChIKey
CFXQEHVMCRXUSD-UHFFFAOYSA-N
Compound name
1,2,3-trichloropropane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

92
References

7217
Patents

145.94568 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.95296 122.3
[M+Na]+ 168.93490 131.4
[M-H]- 144.93840 121.1
[M+NH4]+ 163.97950 144.6
[M+K]+ 184.90884 127.4
[M+H-H2O]+ 128.94294 121.0
[M+HCOO]- 190.94388 130.9
[M+CH3COO]- 204.95953 174.2
[M+Na-2H]- 166.92035 127.6
[M]+ 145.94513 124.0
[M]- 145.94623 124.0
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.