CID 3024032

84689-20-3

Structural Information

Molecular Formula
C9H7Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N
InChI
InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)
InChIKey
BXDSJOGMJUKSAE-UHFFFAOYSA-N
Compound name
2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

255.00784 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01512 157.3
[M+Na]+ 277.99706 167.1
[M+NH4]+ 273.04166 161.3
[M+K]+ 293.97100 158.0
[M-H]- 254.00056 153.6
[M+Na-2H]- 275.98251 160.2
[M]+ 255.00729 157.0
[M]- 255.00839 157.0
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