CID 129835015

20895-50-5

Structural Information

Molecular Formula
C9H7ClO2
SMILES
CC1=CC2=C(C=C1Cl)C(=O)CO2
InChI
InChI=1S/C9H7ClO2/c1-5-2-9-6(3-7(5)10)8(11)4-12-9/h2-3H,4H2,1H3
InChIKey
XPSMFUKWHWJPBI-UHFFFAOYSA-N
Compound name
5-chloro-6-methyl-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01346 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 131.5
[M+Na]+ 205.00268 146.1
[M+NH4]+ 200.04728 141.6
[M+K]+ 220.97662 141.0
[M-H]- 181.00618 135.3
[M+Na-2H]- 202.98813 137.1
[M]+ 182.01291 135.0
[M]- 182.01401 135.0
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

No patent data available for this compound.