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]+ 159.020736 128.9
[M+Na]+ 181.002678 138.8
[M-H]- 157.006184 133.6
[M+NH4]+ 176.047283 151.3
[M+K]+ 196.976618 137.3
[M+H-H2O]+ 141.010720 125.0
[M+HCOO]- 203.011661 148.9
[M+CH3COO]- 217.027311 174.3
[M+Na-2H]- 178.988126 134.4
[M]+ 158.01291142 133.1
[M]- 158.01400858 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.