CID 3025278

102418-22-4

Structural Information

Molecular Formula
C9H18Cl3N
SMILES
CC(CN(CC(C)Cl)CC(C)Cl)Cl
InChI
InChI=1S/C9H18Cl3N/c1-7(10)4-13(5-8(2)11)6-9(3)12/h7-9H,4-6H2,1-3H3
InChIKey
ZKWDXFVEZQZJQJ-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(2-chloropropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.05048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05776 153.8
[M+Na]+ 268.03970 159.7
[M-H]- 244.04320 153.4
[M+NH4]+ 263.08430 172.7
[M+K]+ 284.01364 155.9
[M+H-H2O]+ 228.04774 151.1
[M+HCOO]- 290.04868 160.5
[M+CH3COO]- 304.06433 200.7
[M+Na-2H]- 266.02515 153.0
[M]+ 245.04993 157.6
[M]- 245.05103 157.6
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.