CID 111641

Einecs 272-426-7

Structural Information

Molecular Formula
C15H11Cl2N5O2
SMILES
C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)NCCC#N
InChI
InChI=1S/C15H11Cl2N5O2/c16-12-8-10(2-4-14(12)19-7-1-6-18)20-21-15-5-3-11(22(23)24)9-13(15)17/h2-5,8-9,19H,1,7H2
InChIKey
GXWOMHNHOZYRMF-UHFFFAOYSA-N
Compound name
3-[2-chloro-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

363.029 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.036276 192.6
[M+Na]+ 386.018218 201.4
[M-H]- 362.021724 198.5
[M+NH4]+ 381.062823 204.0
[M+K]+ 401.992158 191.5
[M+H-H2O]+ 346.026260 182.7
[M+HCOO]- 408.027201 209.4
[M+CH3COO]- 422.042851 226.5
[M+Na-2H]- 384.003666 196.2
[M]+ 363.02845142 190.5
[M]- 363.02954858 190.5
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