CID 305082

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

Structural Information

Molecular Formula
C13H9BrClNO
SMILES
C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)Cl
InChI
InChI=1S/C13H9BrClNO/c14-10-1-6-13(17)9(7-10)8-16-12-4-2-11(15)3-5-12/h1-8,17H
InChIKey
VSAVFQLPHIEAFP-UHFFFAOYSA-N
Compound name
4-bromo-2-[(4-chlorophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

308.9556 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.96288 157.5
[M+Na]+ 331.94482 170.5
[M-H]- 307.94832 167.0
[M+NH4]+ 326.98942 177.0
[M+K]+ 347.91876 156.4
[M+H-H2O]+ 291.95286 157.2
[M+HCOO]- 353.95380 176.5
[M+CH3COO]- 367.96945 200.8
[M+Na-2H]- 329.93027 164.7
[M]+ 308.95505 178.0
[M]- 308.95615 178.0
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