CID 3009217

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

Structural Information

Molecular Formula
C15H10BrClO
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H10BrClO/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
KWAKVJZFAVKZLT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-6-chloro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

319.96036 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.96764 163.5
[M+Na]+ 342.94958 176.5
[M-H]- 318.95308 174.1
[M+NH4]+ 337.99418 182.4
[M+K]+ 358.92352 164.2
[M+H-H2O]+ 302.95762 163.6
[M+HCOO]- 364.95856 178.3
[M+CH3COO]- 378.97421 178.0
[M+Na-2H]- 340.93503 171.7
[M]+ 319.95981 184.1
[M]- 319.96091 184.1
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