CID 2757788

61705-88-2

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1=CC(=CC=C1N=C(N)N)Cl
InChI
InChI=1S/C7H8ClN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKey
ZSJNJAJDBNFVCA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

238
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 134.1
[M+Na]+ 192.02990 142.1
[M-H]- 168.03340 138.4
[M+NH4]+ 187.07450 154.8
[M+K]+ 208.00384 138.6
[M+H-H2O]+ 152.03794 128.8
[M+HCOO]- 214.03888 157.3
[M+CH3COO]- 228.05453 185.5
[M+Na-2H]- 190.01535 140.0
[M]+ 169.04013 131.9
[M]- 169.04123 131.9
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