CID 12243691

(2-bromo-5-methoxy-4-methylphenyl)methanol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC1=CC(=C(C=C1OC)CO)Br
InChI
InChI=1S/C9H11BrO2/c1-6-3-8(10)7(5-11)4-9(6)12-2/h3-4,11H,5H2,1-2H3
InChIKey
ROMVGEWQOADZHE-UHFFFAOYSA-N
Compound name
(2-bromo-5-methoxy-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 140.0
[M+Na]+ 252.983468 152.6
[M-H]- 228.986974 145.7
[M+NH4]+ 248.028073 161.7
[M+K]+ 268.957408 141.7
[M+H-H2O]+ 212.991510 140.5
[M+HCOO]- 274.992451 160.9
[M+CH3COO]- 289.008101 186.5
[M+Na-2H]- 250.968916 146.6
[M]+ 229.99370142 160.4
[M]- 229.99479858 160.4
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