CID 28795

Bayer 78658

Structural Information

Molecular Formula
C9H11Cl2N3
SMILES
CCN=C(N)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2N3/c1-2-13-9(12)14-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKey
OZFOQJXRULGYKB-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-ethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04028 148.4
[M+Na]+ 254.02222 160.5
[M+NH4]+ 249.06682 157.1
[M+K]+ 269.99616 153.0
[M-H]- 230.02572 152.2
[M+Na-2H]- 252.00767 155.2
[M]+ 231.03245 151.6
[M]- 231.03355 151.6
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.