CID 13354004

(4-bromophenyl)(4-fluorophenyl)methanol

Structural Information

Molecular Formula
C13H10BrFO
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)O)F
InChI
InChI=1S/C13H10BrFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
QARMUHMNUCVWDD-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

279.9899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.997176 154.9
[M+Na]+ 302.979118 165.8
[M-H]- 278.982624 161.7
[M+NH4]+ 298.023723 173.8
[M+K]+ 318.953058 153.6
[M+H-H2O]+ 262.987160 153.7
[M+HCOO]- 324.988101 173.8
[M+CH3COO]- 339.003751 194.0
[M+Na-2H]- 300.964566 160.4
[M]+ 279.98935142 171.0
[M]- 279.99044858 171.0
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