CID 18525915

1-bromo-3-(phenoxymethyl)benzene

Structural Information

Molecular Formula
C13H11BrO
SMILES
C1=CC=C(C=C1)OCC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H11BrO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2
InChIKey
ZTDWIISWPAVUOU-UHFFFAOYSA-N
Compound name
1-bromo-3-(phenoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

261.99933 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.006606 149.9
[M+Na]+ 284.988548 160.7
[M-H]- 260.992054 159.0
[M+NH4]+ 280.033153 170.1
[M+K]+ 300.962488 149.5
[M+H-H2O]+ 244.996590 149.4
[M+HCOO]- 306.997531 172.3
[M+CH3COO]- 321.013181 192.1
[M+Na-2H]- 282.973996 158.5
[M]+ 261.99878142 169.0
[M]- 261.99987858 169.0
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