CID 500461

6-chloro-3-phenyl-2h-chromene

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1C(=CC2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H11ClO/c16-14-6-7-15-12(9-14)8-13(10-17-15)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
FPOUQWCJXWWGCN-UHFFFAOYSA-N
Compound name
6-chloro-3-phenyl-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

242.04984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.057116 150.8
[M+Na]+ 265.039058 160.3
[M-H]- 241.042564 159.0
[M+NH4]+ 260.083663 168.9
[M+K]+ 281.012998 155.5
[M+H-H2O]+ 225.047100 144.1
[M+HCOO]- 287.048041 167.9
[M+CH3COO]- 301.063691 164.1
[M+Na-2H]- 263.024506 159.2
[M]+ 242.04929142 152.6
[M]- 242.05038858 152.6
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