CID 558969

175205-04-6

Structural Information

Molecular Formula
C8H9Cl2N5
SMILES
C1=C(C=C(C=C1Cl)Cl)N=C(N)N=C(N)N
InChI
InChI=1S/C8H9Cl2N5/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
BUXACHZAYWAZJL-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
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 156.3
[M+Na]+ 268.01272 164.0
[M-H]- 244.01622 160.9
[M+NH4]+ 263.05732 174.2
[M+K]+ 283.98666 159.5
[M+H-H2O]+ 228.02076 150.9
[M+HCOO]- 290.02170 176.0
[M+CH3COO]- 304.03735 205.3
[M+Na-2H]- 265.99817 158.4
[M]+ 245.02295 154.1
[M]- 245.02405 154.1
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