CID 104073

Einecs 257-652-6

Structural Information

Molecular Formula
C15H14Cl2N4O2
SMILES
CN(CCCl)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H14Cl2N4O2/c1-20(9-8-16)12-4-2-11(3-5-12)18-19-15-7-6-13(21(22)23)10-14(15)17/h2-7,10H,8-9H2,1H3
InChIKey
MDNMLKKHFHYRGF-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.04938 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05666 183.0
[M+Na]+ 375.03860 189.3
[M-H]- 351.04210 192.1
[M+NH4]+ 370.08320 197.1
[M+K]+ 391.01254 181.4
[M+H-H2O]+ 335.04664 179.6
[M+HCOO]- 397.04758 204.5
[M+CH3COO]- 411.06323 219.2
[M+Na-2H]- 373.02405 188.3
[M]+ 352.04883 187.9
[M]- 352.04993 187.9
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.