CID 42455

6-bromo-8-methoxy-3-nitro-2-phenyl-2h-1-benzopyran

Structural Information

Molecular Formula
C16H12BrNO4
SMILES
COC1=CC(=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=CC=C3)Br
InChI
InChI=1S/C16H12BrNO4/c1-21-14-9-12(17)7-11-8-13(18(19)20)15(22-16(11)14)10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKey
VWXJLDUSNSBUFE-UHFFFAOYSA-N
Compound name
6-bromo-8-methoxy-3-nitro-2-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.99496 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.00224 172.0
[M+Na]+ 383.98418 178.4
[M+NH4]+ 379.02878 177.0
[M+K]+ 399.95812 179.3
[M-H]- 359.98768 177.5
[M+Na-2H]- 381.96963 176.2
[M]+ 360.99441 173.4
[M]- 360.99551 173.4
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.