CID 4063418

N-(5-chloro-2-hydroxy-benzoyl)-guanidine

Structural Information

Molecular Formula
C8H8ClN3O2
SMILES
C1=CC(=C(C=C1Cl)C(=O)N=C(N)N)O
InChI
InChI=1S/C8H8ClN3O2/c9-4-1-2-6(13)5(3-4)7(14)12-8(10)11/h1-3,13H,(H4,10,11,12,14)
InChIKey
OKQSPTMRQPLNGM-UHFFFAOYSA-N
Compound name
5-chloro-N-(diaminomethylidene)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.0305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.037776 144.1
[M+Na]+ 236.019718 152.1
[M-H]- 212.023224 147.4
[M+NH4]+ 231.064323 162.4
[M+K]+ 251.993658 148.6
[M+H-H2O]+ 196.027760 138.9
[M+HCOO]- 258.028701 165.2
[M+CH3COO]- 272.044351 191.1
[M+Na-2H]- 234.005166 147.0
[M]+ 213.02995142 142.3
[M]- 213.03104858 142.3
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