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

literature stripe

Patent stripe

patents stripe