CID 91824

4-bromo-3,5-dihydroxy-n-methylbenzamide

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
CNC(=O)C1=CC(=C(C(=C1)O)Br)O
InChI
InChI=1S/C8H8BrNO3/c1-10-8(13)4-2-5(11)7(9)6(12)3-4/h2-3,11-12H,1H3,(H,10,13)
InChIKey
QERSTEVWBUZWQF-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dihydroxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.96877 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 142.1
[M+Na]+ 267.957988 153.4
[M-H]- 243.961494 146.4
[M+NH4]+ 263.002593 161.7
[M+K]+ 283.931928 141.9
[M+H-H2O]+ 227.966030 141.7
[M+HCOO]- 289.966971 162.0
[M+CH3COO]- 303.982621 187.4
[M+Na-2H]- 265.943436 147.5
[M]+ 244.96822142 159.4
[M]- 244.96931858 159.4
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