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

49
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 164.7
[M+Na]+ 277.99706 174.3
[M-H]- 254.00056 168.6
[M+NH4]+ 273.04166 180.5
[M+K]+ 293.97100 169.4
[M+H-H2O]+ 238.00510 152.8
[M+HCOO]- 300.00604 180.0
[M+CH3COO]- 314.02169 215.1
[M+Na-2H]- 275.98251 166.0
[M]+ 255.00729 159.2
[M]- 255.00839 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