CID 105908

67875-01-8

Structural Information

Molecular Formula
C16H16Cl2N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H16Cl2N4O2/c1-3-21(4-2)12-7-5-11(6-8-12)19-20-16-14(17)9-13(22(23)24)10-15(16)18/h5-10H,3-4H2,1-2H3
InChIKey
ITPXXHNVFVJOTN-UHFFFAOYSA-N
Compound name
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.06503 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07231 188.1
[M+Na]+ 389.05425 194.8
[M-H]- 365.05775 197.3
[M+NH4]+ 384.09885 201.9
[M+K]+ 405.02819 186.7
[M+H-H2O]+ 349.06229 184.7
[M+HCOO]- 411.06323 209.2
[M+CH3COO]- 425.07888 223.3
[M+Na-2H]- 387.03970 192.2
[M]+ 366.06448 193.7
[M]- 366.06558 193.7
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