CID 10374840

1-(3-chlorophenyl)guanidine

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1=CC(=CC(=C1)Cl)N=C(N)N
InChI
InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
DWLMIHRZURMFAQ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

142
Patents

169.04068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04796 132.8
[M+Na]+ 192.02990 144.2
[M+NH4]+ 187.07450 141.7
[M+K]+ 208.00384 137.9
[M-H]- 168.03340 136.7
[M+Na-2H]- 190.01535 140.1
[M]+ 169.04013 135.6
[M]- 169.04123 135.6
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