CID 382434

Nsc669999

Structural Information

Molecular Formula
C19H13BrO4
SMILES
CC1=CC(=O)OC2=C1C=CC3=C2C(=O)CC(O3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H13BrO4/c1-10-8-17(22)24-19-13(10)6-7-15-18(19)14(21)9-16(23-15)11-2-4-12(20)5-3-11/h2-8,16H,9H2,1H3
InChIKey
GUHQXZPDNPRRCA-UHFFFAOYSA-N
Compound name
8-(4-bromophenyl)-4-methyl-8,9-dihydropyrano[2,3-f]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.99973 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.00701 182.2
[M+Na]+ 406.98895 194.8
[M-H]- 382.99245 194.6
[M+NH4]+ 402.03355 197.2
[M+K]+ 422.96289 185.7
[M+H-H2O]+ 366.99699 180.2
[M+HCOO]- 428.99793 197.9
[M+CH3COO]- 443.01358 195.6
[M+Na-2H]- 404.97440 188.6
[M]+ 383.99918 203.4
[M]- 384.00028 203.4
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.