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

62
Patents

255.00784 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.015116 164.7
[M+Na]+ 277.997058 174.3
[M-H]- 254.000564 168.6
[M+NH4]+ 273.041663 180.5
[M+K]+ 293.970998 169.4
[M+H-H2O]+ 238.005100 152.8
[M+HCOO]- 300.006041 180.0
[M+CH3COO]- 314.021691 215.1
[M+Na-2H]- 275.982506 166.0
[M]+ 255.00729142 159.2
[M]- 255.00838858 159.2
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