CID 105889

Einecs 267-484-5

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 200.8
[M+Na]+ 419.97924 210.1
[M-H]- 395.98274 205.6
[M+NH4]+ 415.02384 211.2
[M+K]+ 435.95318 199.9
[M+H-H2O]+ 379.98728 192.1
[M+HCOO]- 441.98822 212.6
[M+CH3COO]- 456.00387 231.2
[M+Na-2H]- 417.96469 202.4
[M]+ 396.98947 199.5
[M]- 396.99057 199.5
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