CID 80146943

2-chloro-1-(3-methylfuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C7H7ClO2
SMILES
CC1=C(OC=C1)C(=O)CCl
InChI
InChI=1S/C7H7ClO2/c1-5-2-3-10-7(5)6(9)4-8/h2-3H,4H2,1H3
InChIKey
TZPGCGVDIXPEFR-UHFFFAOYSA-N
Compound name
2-chloro-1-(3-methylfuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 128.0
[M+Na]+ 181.00268 140.7
[M+NH4]+ 176.04728 136.9
[M+K]+ 196.97662 136.8
[M-H]- 157.00618 130.4
[M+Na-2H]- 178.98813 133.5
[M]+ 158.01291 130.7
[M]- 158.01401 130.7
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

No patent data available for this compound.