CID 500462

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

Structural Information

Molecular Formula
C15H11ClO
SMILES
C1C(=CC2=CC=CC=C2O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClO/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-9H,10H2
InChIKey
QGAOYMPTVPUKFA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

242.04984 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05712 150.8
[M+Na]+ 265.03906 160.3
[M-H]- 241.04256 159.0
[M+NH4]+ 260.08366 168.9
[M+K]+ 281.01300 155.5
[M+H-H2O]+ 225.04710 144.1
[M+HCOO]- 287.04804 167.9
[M+CH3COO]- 301.06369 164.1
[M+Na-2H]- 263.02451 159.2
[M]+ 242.04929 152.6
[M]- 242.05039 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