CID 13448

2-(((4-bromophenyl)imino)methyl)phenol

Structural Information

Molecular Formula
C13H10BrNO
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C13H10BrNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H
InChIKey
VWAMOQWOPYDCQR-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

31
Patents

274.99457 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 151.9
[M+Na]+ 297.98379 163.0
[M-H]- 273.98729 161.3
[M+NH4]+ 293.02839 171.5
[M+K]+ 313.95773 150.8
[M+H-H2O]+ 257.99183 150.8
[M+HCOO]- 319.99277 175.3
[M+CH3COO]- 334.00842 196.2
[M+Na-2H]- 295.96924 160.2
[M]+ 274.99402 170.0
[M]- 274.99512 170.0
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