CID 112734

61813-43-2

Structural Information

Molecular Formula
C16H16Cl2N4O2
SMILES
CCN(CCCl)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H16Cl2N4O2/c1-2-21(10-9-17)13-5-3-12(4-6-13)19-20-16-8-7-14(22(23)24)11-15(16)18/h3-8,11H,2,9-10H2,1H3
InChIKey
FEQBFCBDBGMWRO-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.06503 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07231 182.5
[M+Na]+ 389.05425 197.3
[M+NH4]+ 384.09885 190.9
[M+K]+ 405.02819 190.3
[M-H]- 365.05775 190.5
[M+Na-2H]- 387.03970 191.7
[M]+ 366.06448 187.4
[M]- 366.06558 187.4
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.