CID 96601

73855-51-3

Structural Information

Molecular Formula
C13H18Cl3NO2
SMILES
CC(CN(CC1=CC(=C(C=C1O)O)Cl)CC(C)Cl)Cl
InChI
InChI=1S/C13H18Cl3NO2/c1-8(14)5-17(6-9(2)15)7-10-3-11(16)13(19)4-12(10)18/h3-4,8-9,18-19H,5-7H2,1-2H3
InChIKey
ZUFJAUDVFHWSNC-UHFFFAOYSA-N
Compound name
4-[[bis(2-chloropropyl)amino]methyl]-6-chlorobenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0403 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04758 170.5
[M+Na]+ 348.02952 182.4
[M+NH4]+ 343.07412 177.8
[M+K]+ 364.00346 175.9
[M-H]- 324.03302 171.4
[M+Na-2H]- 346.01497 174.4
[M]+ 325.03975 173.2
[M]- 325.04085 173.2
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.