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

63
Patents

203.00171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00899 141.9
[M+Na]+ 225.99093 151.1
[M-H]- 201.99443 145.7
[M+NH4]+ 221.03553 161.8
[M+K]+ 241.96487 146.0
[M+H-H2O]+ 185.99897 137.6
[M+HCOO]- 247.99991 159.8
[M+CH3COO]- 262.01556 191.4
[M+Na-2H]- 223.97638 146.0
[M]+ 203.00116 141.2
[M]- 203.00226 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.