CID 115704

Dtxsid70982501

Structural Information

Molecular Formula
C8H16Cl3N
SMILES
CC(CCN(CCCl)CCCl)Cl
InChI
InChI=1S/C8H16Cl3N/c1-8(11)2-5-12(6-3-9)7-4-10/h8H,2-7H2,1H3
InChIKey
YHCKFYDONCNCPE-UHFFFAOYSA-N
Compound name
3-chloro-N,N-bis(2-chloroethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.03484 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04212 150.6
[M+Na]+ 254.02406 157.2
[M-H]- 230.02756 150.0
[M+NH4]+ 249.06866 170.1
[M+K]+ 269.99800 152.9
[M+H-H2O]+ 214.03210 147.6
[M+HCOO]- 276.03304 159.2
[M+CH3COO]- 290.04869 196.2
[M+Na-2H]- 252.00951 152.4
[M]+ 231.03429 154.9
[M]- 231.03539 154.9
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.