CID 49647

Furfuryl-bis(2-chloroethyl)amine hydrochloride

Structural Information

Molecular Formula
C9H13Cl2NO
SMILES
C1=COC(=C1)CN(CCCl)CCCl
InChI
InChI=1S/C9H13Cl2NO/c10-3-5-12(6-4-11)8-9-2-1-7-13-9/h1-2,7H,3-6,8H2
InChIKey
BHIWWQSTQSJULF-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-(furan-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.03741 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04469 149.9
[M+Na]+ 244.02663 157.6
[M-H]- 220.03013 154.2
[M+NH4]+ 239.07123 170.1
[M+K]+ 260.00057 154.7
[M+H-H2O]+ 204.03467 144.9
[M+HCOO]- 266.03561 165.9
[M+CH3COO]- 280.05126 190.2
[M+Na-2H]- 242.01208 154.5
[M]+ 221.03686 155.6
[M]- 221.03796 155.6
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.