CID 13953725

8-chlorochroman-4-one

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1COC2=C(C1=O)C=CC=C2Cl
InChI
InChI=1S/C9H7ClO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChIKey
VWENHHJICDZGQB-UHFFFAOYSA-N
Compound name
8-chloro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

182.01346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 131.4
[M+Na]+ 205.00268 146.7
[M+NH4]+ 200.04728 141.7
[M+K]+ 220.97662 139.3
[M-H]- 181.00618 136.0
[M+Na-2H]- 202.98813 138.4
[M]+ 182.01291 135.3
[M]- 182.01401 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe