CID 383153

Nsc671199

Structural Information

Molecular Formula
C14H10Br2O3
SMILES
CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)CBr)Br)C
InChI
InChI=1S/C14H10Br2O3/c1-6-3-11(17)19-13-7(2)14-9(4-8(6)13)12(16)10(5-15)18-14/h3-4H,5H2,1-2H3
InChIKey
CIGORHUILUXPDJ-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)-5,9-dimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.89966 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.90694 163.5
[M+Na]+ 406.88888 177.7
[M-H]- 382.89238 173.8
[M+NH4]+ 401.93348 181.7
[M+K]+ 422.86282 165.0
[M+H-H2O]+ 366.89692 172.1
[M+HCOO]- 428.89786 179.0
[M+CH3COO]- 442.91351 178.3
[M+Na-2H]- 404.87433 170.2
[M]+ 383.89911 203.5
[M]- 383.90021 203.5
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

patents stripe