CID 136058958

1,5-bis(3,5-dichloro-2-hydroxyphenyl)formazan-3-carbonitrile

Structural Information

Molecular Formula
C14H7Cl4N5O2
SMILES
C1=C(C=C(C(=C1N/N=C(\C#N)/N=NC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl
InChI
InChI=1S/C14H7Cl4N5O2/c15-6-1-8(17)13(24)10(3-6)20-22-12(5-19)23-21-11-4-7(16)2-9(18)14(11)25/h1-4,20,24-25H/b22-12+,23-21?
InChIKey
JIVDOFLPGFPRRU-KQUPUSJXSA-N
Compound name
1-cyano-N'-(3,5-dichloro-2-hydroxyanilino)-N-(3,5-dichloro-2-hydroxyphenyl)iminomethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

416.9354 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.94268 199.4
[M+Na]+ 439.92462 210.9
[M-H]- 415.92812 203.3
[M+NH4]+ 434.96922 209.8
[M+K]+ 455.89856 204.2
[M+H-H2O]+ 399.93266 188.9
[M+HCOO]- 461.93360 205.6
[M+CH3COO]- 475.94925 237.5
[M+Na-2H]- 437.91007 198.4
[M]+ 416.93485 198.3
[M]- 416.93595 198.3
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