CID 3613700

1-(3,4-dichlorophenyl)guanidine carbonate

Structural Information

Molecular Formula
C7H7Cl2N3
SMILES
C1=CC(=C(C=C1N=C(N)N)Cl)Cl
InChI
InChI=1S/C7H7Cl2N3/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H,(H4,10,11,12)
InChIKey
NNRSVGLUJAPMQD-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

64
Patents

203.00171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.008986 141.9
[M+Na]+ 225.990928 151.1
[M-H]- 201.994434 145.7
[M+NH4]+ 221.035533 161.8
[M+K]+ 241.964868 146.0
[M+H-H2O]+ 185.998970 137.6
[M+HCOO]- 247.999911 159.8
[M+CH3COO]- 262.015561 191.4
[M+Na-2H]- 223.976376 146.0
[M]+ 203.00116142 141.2
[M]- 203.00225858 141.2
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