CID 13019985

2,4-dimethyl-3-furoyl chloride

Structural Information

Molecular Formula
C7H7ClO2
SMILES
CC1=COC(=C1C(=O)Cl)C
InChI
InChI=1S/C7H7ClO2/c1-4-3-10-5(2)6(4)7(8)9/h3H,1-2H3
InChIKey
NOEQXZGBSMGWCT-UHFFFAOYSA-N
Compound name
2,4-dimethylfuran-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

158.01346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02074 127.9
[M+Na]+ 181.00268 138.8
[M-H]- 157.00618 133.0
[M+NH4]+ 176.04728 150.7
[M+K]+ 196.97662 137.2
[M+H-H2O]+ 141.01072 124.4
[M+HCOO]- 203.01166 147.9
[M+CH3COO]- 217.02731 175.5
[M+Na-2H]- 178.98813 132.9
[M]+ 158.01291 132.5
[M]- 158.01401 132.5
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