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]+ 231.00153 140.0
[M+Na]+ 252.98347 152.6
[M-H]- 228.98697 145.7
[M+NH4]+ 248.02807 161.7
[M+K]+ 268.95741 141.7
[M+H-H2O]+ 212.99151 140.5
[M+HCOO]- 274.99245 160.9
[M+CH3COO]- 289.00810 186.5
[M+Na-2H]- 250.96892 146.6
[M]+ 229.99370 160.4
[M]- 229.99480 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