CID 2730227

175205-08-0

Structural Information

Molecular Formula
C8H9Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N=C(N)N=C(N)N
InChI
InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
VBICEVQOHHQRLY-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

245.0235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03078 151.9
[M+Na]+ 268.01272 161.3
[M+NH4]+ 263.05732 159.3
[M+K]+ 283.98666 155.7
[M-H]- 244.01622 155.8
[M+Na-2H]- 265.99817 157.4
[M]+ 245.02295 154.4
[M]- 245.02405 154.4
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