CID 25324438

(1r)-1-(3-bromo-4-methoxyphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H11BrO2
SMILES
C[C@H](C1=CC(=C(C=C1)OC)Br)O
InChI
InChI=1S/C9H11BrO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6,11H,1-2H3/t6-/m1/s1
InChIKey
KQHQGTDOJDHQGX-ZCFIWIBFSA-N
Compound name
(1R)-1-(3-bromo-4-methoxyphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.4
[M+NH4]+ 248.02807 144.8
[M+K]+ 268.95741 143.9
[M-H]- 228.98697 140.3
[M+Na-2H]- 250.96892 143.2
[M]+ 229.99370 139.4
[M]- 229.99480 139.4
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

No patent data available for this compound.