CID 165942573

2-bromo-5-(4-fluorophenoxy)-1,3-dimethylbenzene

Structural Information

Molecular Formula
C14H12BrFO
SMILES
CC1=CC(=CC(=C1Br)C)OC2=CC=C(C=C2)F
InChI
InChI=1S/C14H12BrFO/c1-9-7-13(8-10(2)14(9)15)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3
InChIKey
URRGXBOGZBUATG-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-fluorophenoxy)-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.00555 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01283 157.2
[M+Na]+ 316.99477 170.3
[M-H]- 292.99827 165.9
[M+NH4]+ 312.03937 177.0
[M+K]+ 332.96871 158.3
[M+H-H2O]+ 277.00281 155.9
[M+HCOO]- 339.00375 178.2
[M+CH3COO]- 353.01940 200.6
[M+Na-2H]- 314.98022 162.6
[M]+ 294.00500 176.7
[M]- 294.00610 176.7
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.