CID 9211

Benzopyran

Structural Information

Molecular Formula
C9H8O
SMILES
C1C=CC2=CC=CC=C2O1
InChI
InChI=1S/C9H8O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-6H,7H2
InChIKey
KYNSBQPICQTCGU-UHFFFAOYSA-N
Compound name
2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

71
References

119898
Patents

132.05751 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 121.6
[M+Na]+ 155.04673 129.6
[M-H]- 131.05023 126.8
[M+NH4]+ 150.09133 143.2
[M+K]+ 171.02067 128.7
[M+H-H2O]+ 115.05477 116.1
[M+HCOO]- 177.05571 144.1
[M+CH3COO]- 191.07136 136.4
[M+Na-2H]- 153.03218 133.2
[M]+ 132.05696 120.9
[M]- 132.05806 120.9
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