CID 500471

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

Structural Information

Molecular Formula
C15H11BrO
SMILES
C1C(=CC2=CC=CC=C2O1)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-9H,10H2
InChIKey
IUGVCBCBCWEIET-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe