CID 3675252

763130-82-1

Structural Information

Molecular Formula
C19H16BrNO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NCC3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C19H16BrNO2/c20-15-6-11-19(22)14(12-15)13-21-16-7-9-18(10-8-16)23-17-4-2-1-3-5-17/h1-12,21-22H,13H2
InChIKey
LNISEDUAYXMWMJ-UHFFFAOYSA-N
Compound name
4-bromo-2-[(4-phenoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.03644 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.043716 178.6
[M+Na]+ 392.025658 187.7
[M-H]- 368.029164 189.0
[M+NH4]+ 387.070263 193.2
[M+K]+ 407.999598 174.8
[M+H-H2O]+ 352.033700 175.8
[M+HCOO]- 414.034641 199.6
[M+CH3COO]- 428.050291 190.8
[M+Na-2H]- 390.011106 184.6
[M]+ 369.03589142 196.5
[M]- 369.03698858 196.5
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.