CID 15894

((2,6-dichlorobenzyl)oxy)guanidine hydrochloride

Structural Information

Molecular Formula
C8H9Cl2N3O
SMILES
C1=CC(=C(C(=C1)Cl)CON=C(N)N)Cl
InChI
InChI=1S/C8H9Cl2N3O/c9-6-2-1-3-7(10)5(6)4-14-13-8(11)12/h1-3H,4H2,(H4,11,12,13)
InChIKey
ZHBCMEFERUSCDV-UHFFFAOYSA-N
Compound name
2-[(2,6-dichlorophenyl)methoxy]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

233.01227 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01955 148.7
[M+Na]+ 256.00149 157.4
[M-H]- 232.00499 152.3
[M+NH4]+ 251.04609 167.3
[M+K]+ 271.97543 152.7
[M+H-H2O]+ 216.00953 144.0
[M+HCOO]- 278.01047 166.6
[M+CH3COO]- 292.02612 196.4
[M+Na-2H]- 253.98694 152.4
[M]+ 233.01172 149.8
[M]- 233.01282 149.8
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