CID 94544

1-(bromomethyl)-3-phenoxybenzene

Structural Information

Molecular Formula
C13H11BrO
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CBr
InChI
InChI=1S/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
UJUNUASMYSTBSK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

596
Patents

261.99933 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe