CID 2759807

845866-53-7

Structural Information

Molecular Formula
C14H13BrO
SMILES
CC1=CC=CC=C1COC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H13BrO/c1-11-5-2-3-6-12(11)10-16-14-8-4-7-13(15)9-14/h2-9H,10H2,1H3
InChIKey
ACGIUZUOTBCQHD-UHFFFAOYSA-N
Compound name
1-bromo-3-[(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 154.1
[M+Na]+ 299.00420 165.4
[M-H]- 275.00770 163.4
[M+NH4]+ 294.04880 174.1
[M+K]+ 314.97814 153.9
[M+H-H2O]+ 259.01224 153.5
[M+HCOO]- 321.01318 176.1
[M+CH3COO]- 335.02883 195.9
[M+Na-2H]- 296.98965 161.5
[M]+ 276.01443 173.9
[M]- 276.01553 173.9
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.