CID 28523390

1036479-52-3

Structural Information

Molecular Formula
C14H13BrO
SMILES
CC1=CC=CC=C1COC2=CC=CC=C2Br
InChI
InChI=1S/C14H13BrO/c1-11-6-2-3-7-12(11)10-16-14-9-5-4-8-13(14)15/h2-9H,10H2,1H3
InChIKey
MNAKLCXGEKAQMN-UHFFFAOYSA-N
Compound name
1-bromo-2-[(2-methylphenyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01498 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02226 152.0
[M+Na]+ 299.00420 158.3
[M+NH4]+ 294.04880 158.1
[M+K]+ 314.97814 155.9
[M-H]- 275.00770 155.7
[M+Na-2H]- 296.98965 159.0
[M]+ 276.01443 153.0
[M]- 276.01553 153.0
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.