CID 38403

N,n-bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride

Structural Information

Molecular Formula
C11H14Cl2N2O2
SMILES
C1=CC(=CC=C1CN(CCCl)CCCl)[N+](=O)[O-]
InChI
InChI=1S/C11H14Cl2N2O2/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17/h1-4H,5-9H2
InChIKey
VILGSMWHEGRABG-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(4-nitrophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.04324 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05052 157.6
[M+Na]+ 299.03246 171.3
[M+NH4]+ 294.07706 166.2
[M+K]+ 315.00640 165.6
[M-H]- 275.03596 161.7
[M+Na-2H]- 297.01791 164.3
[M]+ 276.04269 161.2
[M]- 276.04379 161.2
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

patents stripe