CID 21430675

2-(2,4-dimethylbenzoyl)furan

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=CC(=C(C=C1)C(=O)C2=CC=CO2)C
InChI
InChI=1S/C13H12O2/c1-9-5-6-11(10(2)8-9)13(14)12-4-3-7-15-12/h3-8H,1-2H3
InChIKey
XDTAFJKNEOCGPK-UHFFFAOYSA-N
Compound name
(2,4-dimethylphenyl)-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.9
[M+Na]+ 223.07294 150.9
[M-H]- 199.07644 150.1
[M+NH4]+ 218.11754 161.8
[M+K]+ 239.04688 149.4
[M+H-H2O]+ 183.08098 136.1
[M+HCOO]- 245.08192 166.3
[M+CH3COO]- 259.09757 185.2
[M+Na-2H]- 221.05839 146.4
[M]+ 200.08317 144.5
[M]- 200.08427 144.5
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