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]+ 263.00661 149.9
[M+Na]+ 284.98855 160.7
[M-H]- 260.99205 159.0
[M+NH4]+ 280.03315 170.1
[M+K]+ 300.96249 149.5
[M+H-H2O]+ 244.99659 149.4
[M+HCOO]- 306.99753 172.3
[M+CH3COO]- 321.01318 192.1
[M+Na-2H]- 282.97400 158.5
[M]+ 261.99878 169.0
[M]- 261.99988 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