CID 710140

4-bromo-2-{(e)-[(2-fluorophenyl)imino]methyl}phenol

Structural Information

Molecular Formula
C13H9BrFNO
SMILES
C1=CC=C(C(=C1)N=CC2=C(C=CC(=C2)Br)O)F
InChI
InChI=1S/C13H9BrFNO/c14-10-5-6-13(17)9(7-10)8-16-12-4-2-1-3-11(12)15/h1-8,17H
InChIKey
XFARSEXTBJQNRF-UHFFFAOYSA-N
Compound name
4-bromo-2-[(2-fluorophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

292.98514 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.99242 155.9
[M+Na]+ 315.97436 167.8
[M-H]- 291.97786 164.2
[M+NH4]+ 311.01896 174.9
[M+K]+ 331.94830 155.1
[M+H-H2O]+ 275.98240 153.8
[M+HCOO]- 337.98334 178.2
[M+CH3COO]- 351.99899 199.8
[M+Na-2H]- 313.95981 162.6
[M]+ 292.98459 173.2
[M]- 292.98569 173.2
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