CID 28796

Bayer 62414

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.040276 151.0
[M+Na]+ 254.022218 159.5
[M-H]- 230.025724 155.5
[M+NH4]+ 249.066823 170.5
[M+K]+ 269.996158 154.7
[M+H-H2O]+ 214.030260 146.2
[M+HCOO]- 276.031201 169.5
[M+CH3COO]- 290.046851 197.2
[M+Na-2H]- 252.007666 156.1
[M]+ 231.03245142 152.9
[M]- 231.03354858 152.9
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

patents stripe