CID 135518417

2-(2,6-dichlorophenyl)-1,1-dimethylguanidine hydrochloride

Structural Information

Molecular Formula
C9H12Cl2N3
SMILES
C[N+](=C(N)NC1=C(C=CC=C1Cl)Cl)C
InChI
InChI=1S/C9H11Cl2N3/c1-14(2)9(12)13-8-6(10)4-3-5-7(8)11/h3-5H,1-2H3,(H2,12,13)/p+1
InChIKey
MGUWTBRYVAKORK-UHFFFAOYSA-O
Compound name
[amino-(2,6-dichloroanilino)methylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04083 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04811 149.6
[M+Na]+ 255.03005 157.2
[M-H]- 231.03355 153.6
[M+NH4]+ 250.07465 168.2
[M+K]+ 271.00399 147.5
[M+H-H2O]+ 215.03809 147.9
[M+HCOO]- 277.03903 166.2
[M+CH3COO]- 291.05468 191.0
[M+Na-2H]- 253.01550 154.6
[M]+ 232.04028 148.7
[M]- 232.04138 148.7
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.