CID 105889

67874-57-1

Structural Information

Molecular Formula
C15H10Cl3N5O2
SMILES
C1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)Cl)NCCC#N
InChI
InChI=1S/C15H10Cl3N5O2/c16-11-6-9(2-3-14(11)20-5-1-4-19)21-22-15-12(17)7-10(23(24)25)8-13(15)18/h2-3,6-8,20H,1,5H2
InChIKey
YGSBFXRCXYKFGV-UHFFFAOYSA-N
Compound name
3-[2-chloro-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.99002 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.99730 185.9
[M+Na]+ 419.97924 199.8
[M+NH4]+ 415.02384 190.3
[M+K]+ 435.95318 190.0
[M-H]- 395.98274 185.5
[M+Na-2H]- 417.96469 190.8
[M]+ 396.98947 187.7
[M]- 396.99057 187.7
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