CID 80146946

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

Structural Information

Molecular Formula
C7H7ClO2
SMILES
CC1=C(C=CO1)C(=O)CCl
InChI
InChI=1S/C7H7ClO2/c1-5-6(2-3-10-5)7(9)4-8/h2-3H,4H2,1H3
InChIKey
PMJAYEWPZAQBFC-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-methylfuran-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.01346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 128.9
[M+Na]+ 181.00268 138.8
[M-H]- 157.00618 133.6
[M+NH4]+ 176.04728 151.3
[M+K]+ 196.97662 137.3
[M+H-H2O]+ 141.01072 125.0
[M+HCOO]- 203.01166 148.9
[M+CH3COO]- 217.02731 174.3
[M+Na-2H]- 178.98813 134.4
[M]+ 158.01291 133.1
[M]- 158.01401 133.1
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.