CID 42628

58050-46-7

Structural Information

Molecular Formula
C13H18Cl2N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCN(CCCl)CCCl
InChI
InChI=1S/C13H18Cl2N2O2/c14-6-8-17(9-7-15)11-16-13(18)19-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18)
InChIKey
XLNKEEKJYALKLD-UHFFFAOYSA-N
Compound name
benzyl N-[bis(2-chloroethyl)aminomethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07452 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08180 167.6
[M+Na]+ 327.06374 178.5
[M+NH4]+ 322.10834 175.1
[M+K]+ 343.03768 170.9
[M-H]- 303.06724 169.9
[M+Na-2H]- 325.04919 173.5
[M]+ 304.07397 170.2
[M]- 304.07507 170.2
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.