CID 2724799

60835-72-5

Structural Information

Molecular Formula
C14H19BrO5
SMILES
C1COCCOC2=C(C=C(C=C2)Br)OCCOCCO1
InChI
InChI=1S/C14H19BrO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10H2
InChIKey
GPKJNSIFVWMEEI-UHFFFAOYSA-N
Compound name
17-bromo-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

346.0416 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04888 164.3
[M+Na]+ 369.03082 167.0
[M+NH4]+ 364.07542 167.5
[M+K]+ 385.00476 168.5
[M-H]- 345.03432 171.2
[M+Na-2H]- 367.01627 164.9
[M]+ 346.04105 165.4
[M]- 346.04215 165.4
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

patents stripe