CID 3613700

N-(3,4-dichlorophenyl)guanidine

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

59
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

literature stripe

Patent stripe

patents stripe