CID 3686694

42823-15-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe