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

14
Patents

279.9899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99718 154.9
[M+Na]+ 302.97912 165.8
[M-H]- 278.98262 161.7
[M+NH4]+ 298.02372 173.8
[M+K]+ 318.95306 153.6
[M+H-H2O]+ 262.98716 153.7
[M+HCOO]- 324.98810 173.8
[M+CH3COO]- 339.00375 194.0
[M+Na-2H]- 300.96457 160.4
[M]+ 279.98935 171.0
[M]- 279.99045 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