CID 117819867

(3-bromo-5-ethoxyphenyl)methanol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CCOC1=CC(=CC(=C1)CO)Br
InChI
InChI=1S/C9H11BrO2/c1-2-12-9-4-7(6-11)3-8(10)5-9/h3-5,11H,2,6H2,1H3
InChIKey
SIBSBRLAHOKZSI-UHFFFAOYSA-N
Compound name
(3-bromo-5-ethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

229.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.001526 140.8
[M+Na]+ 252.983468 152.5
[M-H]- 228.986974 146.1
[M+NH4]+ 248.028073 162.2
[M+K]+ 268.957408 141.7
[M+H-H2O]+ 212.991510 141.2
[M+HCOO]- 274.992451 161.7
[M+CH3COO]- 289.008101 185.4
[M+Na-2H]- 250.968916 148.0
[M]+ 229.99370142 160.8
[M]- 229.99479858 160.8
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