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 141.3
[M+Na]+ 252.98347 152.7
[M-H]- 228.98697 146.7
[M+NH4]+ 248.02807 162.6
[M+K]+ 268.95741 142.3
[M+H-H2O]+ 212.99151 141.7
[M+HCOO]- 274.99245 161.2
[M+CH3COO]- 289.00810 186.2
[M+Na-2H]- 250.96892 147.3
[M]+ 229.99370 160.7
[M]- 229.99480 160.7
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.