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 173.3
[M+Na]+ 367.98928 186.1
[M-H]- 343.99278 184.5
[M+NH4]+ 363.03388 191.5
[M+K]+ 383.96322 175.5
[M+H-H2O]+ 327.99732 172.2
[M+HCOO]- 389.99826 195.3
[M+CH3COO]- 404.01391 187.8
[M+Na-2H]- 365.97473 178.1
[M]+ 344.99951 195.6
[M]- 345.00061 195.6
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.