CID 2796674

3-methylfuran-2-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClO2
SMILES
CC1=C(OC=C1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChIKey
DFXNZMRXFMWEGQ-UHFFFAOYSA-N
Compound name
3-methylfuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

143.9978 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.00508 123.4
[M+Na]+ 166.98702 136.3
[M+NH4]+ 162.03162 132.4
[M+K]+ 182.96096 132.6
[M-H]- 142.99052 125.9
[M+Na-2H]- 164.97247 129.1
[M]+ 143.99725 126.2
[M]- 143.99835 126.2
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

patents stripe