CID 95273

6-chlorochroman-4-one

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1COC2=C(C1=O)C=C(C=C2)Cl
InChI
InChI=1S/C9H7ClO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChIKey
LLTDYHFVIVSQPJ-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

254
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

literature stripe

Patent stripe

patents stripe