CID 28794

Bayer 72368

Structural Information

Molecular Formula
C13H17Cl2N3
SMILES
C1CCC(CC1)N=C(N)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H17Cl2N3/c14-11-7-6-10(8-12(11)15)18-13(16)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H3,16,17,18)
InChIKey
WFBSECFSASNZGZ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(3,4-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.07996 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08724 166.6
[M+Na]+ 308.06918 171.7
[M-H]- 284.07268 172.3
[M+NH4]+ 303.11378 182.9
[M+K]+ 324.04312 165.7
[M+H-H2O]+ 268.07722 160.2
[M+HCOO]- 330.07816 180.4
[M+CH3COO]- 344.09381 205.8
[M+Na-2H]- 306.05463 168.4
[M]+ 285.07941 162.7
[M]- 285.08051 162.7
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.