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 145.8
[M+Na]+ 236.05612 152.9
[M-H]- 212.05962 149.8
[M+NH4]+ 231.10072 164.7
[M+K]+ 252.03006 149.4
[M+H-H2O]+ 196.06416 139.8
[M+HCOO]- 258.06510 168.6
[M+CH3COO]- 272.08075 193.7
[M+Na-2H]- 234.04157 150.7
[M]+ 213.06635 145.8
[M]- 213.06745 145.8
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.