CID 2759851

5-methylfuran-2-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClO2
SMILES
CC1=CC=C(O1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChIKey
ZURUVZFDEVKNCE-UHFFFAOYSA-N
Compound name
5-methylfuran-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
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

literature stripe

Patent stripe

patents stripe