CID 356100

Nsc611196

Structural Information

Molecular Formula
C19H17BrO6
SMILES
COC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3Br)OC)OC)OC
InChI
InChI=1S/C19H17BrO6/c1-22-14-6-5-10-17(21)12(9-26-18(10)19(14)25-4)11-7-15(23-2)16(24-3)8-13(11)20/h5-9H,1-4H3
InChIKey
MRZDSLCVVMQMHP-UHFFFAOYSA-N
Compound name
3-(2-bromo-4,5-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.02084 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.02812 186.6
[M+Na]+ 443.01006 199.8
[M-H]- 419.01356 198.2
[M+NH4]+ 438.05466 201.1
[M+K]+ 458.98400 191.5
[M+H-H2O]+ 403.01810 183.9
[M+HCOO]- 465.01904 206.3
[M+CH3COO]- 479.03469 222.8
[M+Na-2H]- 440.99551 191.5
[M]+ 420.02029 214.9
[M]- 420.02139 214.9
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.