CID 39445

Brn 2116013

Structural Information

Molecular Formula
C9H12ClN3O
SMILES
C1=CC=C(C(=C1)OCCN=C(N)N)Cl
InChI
InChI=1S/C9H12ClN3O/c10-7-3-1-2-4-8(7)14-6-5-13-9(11)12/h1-4H,5-6H2,(H4,11,12,13)
InChIKey
XENPZNLDISRTLB-UHFFFAOYSA-N
Compound name
2-[2-(2-chlorophenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0669 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07418 144.7
[M+Na]+ 236.05612 155.2
[M+NH4]+ 231.10072 152.7
[M+K]+ 252.03006 149.0
[M-H]- 212.05962 148.0
[M+Na-2H]- 234.04157 151.0
[M]+ 213.06635 147.1
[M]- 213.06745 147.1
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.