CID 90486420

1-bromo-2-((4-hexylphenoxy)methyl)benzene

Structural Information

Molecular Formula
C19H23BrO
SMILES
CCCCCCC1=CC=C(C=C1)OCC2=CC=CC=C2Br
InChI
InChI=1S/C19H23BrO/c1-2-3-4-5-8-16-11-13-18(14-12-16)21-15-17-9-6-7-10-19(17)20/h6-7,9-14H,2-5,8,15H2,1H3
InChIKey
GMKYVSBVQOQIOE-UHFFFAOYSA-N
Compound name
1-bromo-2-[(4-hexylphenoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09323 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10051 177.4
[M+Na]+ 369.08245 186.4
[M-H]- 345.08595 185.6
[M+NH4]+ 364.12705 194.5
[M+K]+ 385.05639 173.8
[M+H-H2O]+ 329.09049 175.6
[M+HCOO]- 391.09143 197.6
[M+CH3COO]- 405.10708 209.8
[M+Na-2H]- 367.06790 181.9
[M]+ 346.09268 198.7
[M]- 346.09378 198.7
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.