CID 340138

85213-86-1

Structural Information

Molecular Formula
C17H17BrO4
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCCCCCBr
InChI
InChI=1S/C17H17BrO4/c18-8-3-1-2-4-9-20-17-15-13(7-10-21-15)11-12-5-6-14(19)22-16(12)17/h5-7,10-11H,1-4,8-9H2
InChIKey
NBKLCRUOMQCFGE-UHFFFAOYSA-N
Compound name
9-(6-bromohexoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.031 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03828 178.6
[M+Na]+ 387.02022 191.5
[M-H]- 363.02372 188.1
[M+NH4]+ 382.06482 196.6
[M+K]+ 402.99416 182.3
[M+H-H2O]+ 347.02826 178.3
[M+HCOO]- 409.02920 198.7
[M+CH3COO]- 423.04485 209.8
[M+Na-2H]- 385.00567 186.4
[M]+ 364.03045 206.1
[M]- 364.03155 206.1
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.