CID 6366499

(z)-[cyano(2,3-dichlorophenyl)methylene]carbazamidine

Structural Information

Molecular Formula
C9H7Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C(=N/N=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)/b15-7+
InChIKey
BXDSJOGMJUKSAE-VIZOYTHASA-N
Compound name
(1Z)-2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

69
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

literature stripe

Patent stripe

patents stripe