CID 2734804

2,5-dimethyl-3-furoyl chloride

Structural Information

Molecular Formula
C7H7ClO2
SMILES
CC1=CC(=C(O1)C)C(=O)Cl
InChI
InChI=1S/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3
InChIKey
RWORXZHVOUPMMM-UHFFFAOYSA-N
Compound name
2,5-dimethylfuran-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

321
Patents

158.01346 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.020736 127.9
[M+Na]+ 181.002678 138.8
[M-H]- 157.006184 133.0
[M+NH4]+ 176.047283 150.7
[M+K]+ 196.976618 137.2
[M+H-H2O]+ 141.010720 124.4
[M+HCOO]- 203.011661 147.9
[M+CH3COO]- 217.027311 175.5
[M+Na-2H]- 178.988126 132.9
[M]+ 158.01291142 132.5
[M]- 158.01400858 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