CID 3009216

6-bromo-3-(4-bromophenyl)-2h-chromene

Structural Information

Molecular Formula
C15H10Br2O
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Br)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H10Br2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKey
VSGNTARCERXWEF-UHFFFAOYSA-N
Compound name
6-bromo-3-(4-bromophenyl)-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

363.90985 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.91713 160.3
[M+Na]+ 386.89907 170.5
[M-H]- 362.90257 170.4
[M+NH4]+ 381.94367 177.1
[M+K]+ 402.87301 156.7
[M+H-H2O]+ 346.90711 168.3
[M+HCOO]- 408.90805 174.5
[M+CH3COO]- 422.92370 173.6
[M+Na-2H]- 384.88452 167.9
[M]+ 363.90930 194.2
[M]- 363.91040 194.2
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.