CID 59215

102107-31-3

Structural Information

Molecular Formula
C7H13Cl4N
SMILES
CN(CC(CCl)Cl)CC(CCl)Cl
InChI
InChI=1S/C7H13Cl4N/c1-12(4-6(10)2-8)5-7(11)3-9/h6-7H,2-5H2,1H3
InChIKey
RBGSFTCSJRYIJA-UHFFFAOYSA-N
Compound name
2,3-dichloro-N-(2,3-dichloropropyl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.98021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.98749 152.2
[M+Na]+ 273.96943 158.4
[M-H]- 249.97293 150.3
[M+NH4]+ 269.01403 170.1
[M+K]+ 289.94337 154.1
[M+H-H2O]+ 233.97747 150.1
[M+HCOO]- 295.97841 154.7
[M+CH3COO]- 309.99406 199.9
[M+Na-2H]- 271.95488 152.0
[M]+ 250.97966 154.4
[M]- 250.98076 154.4
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.