CID 42457

6-bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-2h-1-benzopyran

Structural Information

Molecular Formula
C17H14BrNO5
SMILES
COC1=CC=C(C=C1)C2C(=CC3=C(O2)C(=CC(=C3)Br)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H14BrNO5/c1-22-13-5-3-10(4-6-13)16-14(19(20)21)8-11-7-12(18)9-15(23-2)17(11)24-16/h3-9,16H,1-2H3
InChIKey
CXWWUABDGHFMMI-UHFFFAOYSA-N
Compound name
6-bromo-8-methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.00555 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01283 179.7
[M+Na]+ 413.99477 185.8
[M+NH4]+ 409.03937 184.1
[M+K]+ 429.96871 187.1
[M-H]- 389.99827 184.8
[M+Na-2H]- 411.98022 183.0
[M]+ 391.00500 181.0
[M]- 391.00610 181.0
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.