CID 75365553

1-(bromomethyl)-2-(2-fluorophenoxy)benzene

Structural Information

Molecular Formula
C13H10BrFO
SMILES
C1=CC=C(C(=C1)CBr)OC2=CC=CC=C2F
InChI
InChI=1S/C13H10BrFO/c14-9-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)15/h1-8H,9H2
InChIKey
XMLQZXKMEUJKFF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(2-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9899 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe