CID 109176

Einecs 268-814-0

Structural Information

Molecular Formula
C7H15Cl2NO2
SMILES
CN(CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C7H15Cl2NO2/c1-10(4-6(11)2-8)5-7(12)3-9/h6-7,11-12H,2-5H2,1H3
InChIKey
QRSIATZYIUKISS-UHFFFAOYSA-N
Compound name
1-chloro-3-[(3-chloro-2-hydroxypropyl)-methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

215.04799 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05527 144.8
[M+Na]+ 238.03721 150.7
[M-H]- 214.04071 143.0
[M+NH4]+ 233.08181 163.6
[M+K]+ 254.01115 147.6
[M+H-H2O]+ 198.04525 141.9
[M+HCOO]- 260.04619 156.0
[M+CH3COO]- 274.06184 187.4
[M+Na-2H]- 236.02266 146.2
[M]+ 215.04744 147.5
[M]- 215.04854 147.5
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.