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]+ 370.04372 178.6
[M+Na]+ 392.02566 187.7
[M-H]- 368.02916 189.0
[M+NH4]+ 387.07026 193.2
[M+K]+ 407.99960 174.8
[M+H-H2O]+ 352.03370 175.8
[M+HCOO]- 414.03464 199.6
[M+CH3COO]- 428.05029 190.8
[M+Na-2H]- 390.01111 184.6
[M]+ 369.03589 196.5
[M]- 369.03699 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.