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

119
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 124.0
[M+Na]+ 166.98702 134.4
[M-H]- 142.99052 128.9
[M+NH4]+ 162.03162 147.0
[M+K]+ 182.96096 133.1
[M+H-H2O]+ 126.99506 120.3
[M+HCOO]- 188.99600 144.3
[M+CH3COO]- 203.01165 171.3
[M+Na-2H]- 164.97247 130.1
[M]+ 143.99725 127.8
[M]- 143.99835 127.8
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