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

2
Patents

213.0305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03778 144.1
[M+Na]+ 236.01972 152.1
[M-H]- 212.02322 147.4
[M+NH4]+ 231.06432 162.4
[M+K]+ 251.99366 148.6
[M+H-H2O]+ 196.02776 138.9
[M+HCOO]- 258.02870 165.2
[M+CH3COO]- 272.04435 191.1
[M+Na-2H]- 234.00517 147.0
[M]+ 213.02995 142.3
[M]- 213.03105 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