CID 3008889

3-phenoxybenzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=N)N
InChI
InChI=1S/C13H12N2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15)
InChIKey
CEHNDHNQFURQOE-UHFFFAOYSA-N
Compound name
3-phenoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.09496 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.7
[M+Na]+ 235.08418 151.9
[M-H]- 211.08768 152.0
[M+NH4]+ 230.12878 163.1
[M+K]+ 251.05812 148.2
[M+H-H2O]+ 195.09222 138.1
[M+HCOO]- 257.09316 171.3
[M+CH3COO]- 271.10881 191.4
[M+Na-2H]- 233.06963 152.1
[M]+ 212.09441 142.5
[M]- 212.09551 142.5
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