CID 500470

6-bromo-3-phenyl-2h-chromene

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C15H11BrO/c16-14-6-7-15-12(9-14)8-13(10-17-15)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
GGVOPKBFUHAIKM-UHFFFAOYSA-N
Compound name
6-bromo-3-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.99933 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00661 157.7
[M+Na]+ 308.98855 168.8
[M-H]- 284.99205 168.2
[M+NH4]+ 304.03315 176.7
[M+K]+ 324.96249 158.3
[M+H-H2O]+ 268.99659 157.1
[M+HCOO]- 330.99753 177.0
[M+CH3COO]- 345.01318 172.2
[M+Na-2H]- 306.97400 166.9
[M]+ 285.99878 175.8
[M]- 285.99988 175.8
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