CID 3686694

1-(2,6-dichlorophenyl)biguanide hydrochloride

Structural Information

Molecular Formula
C8H9Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)N=C(N)N=C(N)N)Cl
InChI
InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(10)6(4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKey
PZXIBLJRRIQYKP-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2,6-dichlorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

245.0235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.030776 156.3
[M+Na]+ 268.012718 164.0
[M-H]- 244.016224 160.9
[M+NH4]+ 263.057323 174.2
[M+K]+ 283.986658 159.5
[M+H-H2O]+ 228.020760 150.9
[M+HCOO]- 290.021701 176.0
[M+CH3COO]- 304.037351 205.3
[M+Na-2H]- 265.998166 158.4
[M]+ 245.02295142 154.1
[M]- 245.02404858 154.1
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