CID 111565

68758-71-4

Structural Information

Molecular Formula
C9H10ClNO4
SMILES
C1=C(C(=CC(=C1Cl)O)O)C(=O)NCCO
InChI
InChI=1S/C9H10ClNO4/c10-6-3-5(7(13)4-8(6)14)9(15)11-1-2-12/h3-4,12-14H,1-2H2,(H,11,15)
InChIKey
OZURVNLSJUSJMO-UHFFFAOYSA-N
Compound name
5-chloro-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02983 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03711 145.0
[M+Na]+ 254.01905 153.7
[M-H]- 230.02255 145.4
[M+NH4]+ 249.06365 162.0
[M+K]+ 269.99299 149.3
[M+H-H2O]+ 214.02709 140.9
[M+HCOO]- 276.02803 161.7
[M+CH3COO]- 290.04368 183.9
[M+Na-2H]- 252.00450 148.4
[M]+ 231.02928 146.2
[M]- 231.03038 146.2
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.