CID 11010688

382150-26-7

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)C)Br)O
InChI
InChI=1S/C10H11BrO3/c1-3-14-10(13)7-4-6(2)9(11)8(12)5-7/h4-5,12H,3H2,1-2H3
InChIKey
HJPPCNABHLJUFL-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3-hydroxy-5-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

257.98917 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 146.1
[M+Na]+ 280.978388 158.2
[M-H]- 256.981894 151.7
[M+NH4]+ 276.022993 166.5
[M+K]+ 296.952328 147.5
[M+H-H2O]+ 240.986430 146.3
[M+HCOO]- 302.987371 166.1
[M+CH3COO]- 317.003021 190.6
[M+Na-2H]- 278.963836 151.0
[M]+ 257.98862142 166.8
[M]- 257.98971858 166.8
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