CID 10521480

269075-51-6

Structural Information

Molecular Formula
C16H12BrNO3
SMILES
COC1=CC=CC2=C1OC(=C2N)C(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H12BrNO3/c1-20-12-4-2-3-11-13(18)16(21-15(11)12)14(19)9-5-7-10(17)8-6-9/h2-8H,18H2,1H3
InChIKey
XQCPZEFOVPVXSI-UHFFFAOYSA-N
Compound name
(3-amino-7-methoxy-1-benzofuran-2-yl)-(4-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.00006 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.00734 170.3
[M+Na]+ 367.98928 175.3
[M+NH4]+ 363.03388 174.9
[M+K]+ 383.96322 176.2
[M-H]- 343.99278 174.2
[M+Na-2H]- 365.97473 173.9
[M]+ 344.99951 171.1
[M]- 345.00061 171.1
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.