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
1
Annotation Hits

0
References

0
Patents

363.029 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03628 192.6
[M+Na]+ 386.01822 201.4
[M-H]- 362.02172 198.5
[M+NH4]+ 381.06282 204.0
[M+K]+ 401.99216 191.5
[M+H-H2O]+ 346.02626 182.7
[M+HCOO]- 408.02720 209.4
[M+CH3COO]- 422.04285 226.5
[M+Na-2H]- 384.00367 196.2
[M]+ 363.02845 190.5
[M]- 363.02955 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