CID 710127

4-bromo-2-{(e)-[(3-fluorophenyl)imino]methyl}phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.