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
1
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]+ 245.97605 142.1
[M+Na]+ 267.95799 153.4
[M-H]- 243.96149 146.4
[M+NH4]+ 263.00259 161.7
[M+K]+ 283.93193 141.9
[M+H-H2O]+ 227.96603 141.7
[M+HCOO]- 289.96697 162.0
[M+CH3COO]- 303.98262 187.4
[M+Na-2H]- 265.94344 147.5
[M]+ 244.96822 159.4
[M]- 244.96932 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