CID 22273933

4-(benzyloxy)-1-bromo-2-fluorobenzene

Structural Information

Molecular Formula
C13H10BrFO
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)Br)F
InChI
InChI=1S/C13H10BrFO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
BYTJTXKQBSNGCL-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

279.9899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99718 153.7
[M+Na]+ 302.97912 165.4
[M-H]- 278.98262 161.8
[M+NH4]+ 298.02372 173.4
[M+K]+ 318.95306 153.7
[M+H-H2O]+ 262.98716 152.3
[M+HCOO]- 324.98810 175.0
[M+CH3COO]- 339.00375 195.6
[M+Na-2H]- 300.96457 160.9
[M]+ 279.98935 172.1
[M]- 279.99045 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe