CID 64121374

1-bromo-4-(1-phenylethoxy)benzene

Structural Information

Molecular Formula
C14H13BrO
SMILES
CC(C1=CC=CC=C1)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H13BrO/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11H,1H3
InChIKey
XBTKAJMMTJUGBP-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-phenylethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01498 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02226 155.1
[M+Na]+ 299.00420 165.2
[M-H]- 275.00770 164.1
[M+NH4]+ 294.04880 174.7
[M+K]+ 314.97814 154.2
[M+H-H2O]+ 259.01224 154.5
[M+HCOO]- 321.01318 176.2
[M+CH3COO]- 335.02883 195.7
[M+Na-2H]- 296.98965 162.0
[M]+ 276.01443 174.0
[M]- 276.01553 174.0
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

No patent data available for this compound.