CID 12470488

[(1s)-2-bromo-1-methoxyethyl]benzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
CO[C@H](CBr)C1=CC=CC=C1
InChI
InChI=1S/C9H11BrO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKey
XLUICHSZBNGJHF-SECBINFHSA-N
Compound name
[(1S)-2-bromo-1-methoxyethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

213.99933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 139.1
[M+Na]+ 236.988548 149.5
[M-H]- 212.992054 145.2
[M+NH4]+ 232.033153 161.3
[M+K]+ 252.962488 139.5
[M+H-H2O]+ 196.996590 139.4
[M+HCOO]- 258.997531 160.4
[M+CH3COO]- 273.013181 184.7
[M+Na-2H]- 234.973996 147.0
[M]+ 213.99878142 158.4
[M]- 213.99987858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.