CID 11971254

94043-06-8

Structural Information

Molecular Formula
C6H5FO2
SMILES
C1=C(OC(=C1)C=O)CF
InChI
InChI=1S/C6H5FO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChIKey
NWOKZDMHAXVEJJ-UHFFFAOYSA-N
Compound name
5-(fluoromethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.02736 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.034636 118.7
[M+Na]+ 151.016578 128.6
[M-H]- 127.020084 122.2
[M+NH4]+ 146.061183 141.5
[M+K]+ 166.990518 128.6
[M+H-H2O]+ 111.024620 113.4
[M+HCOO]- 173.025561 143.7
[M+CH3COO]- 187.041211 169.2
[M+Na-2H]- 149.002026 126.1
[M]+ 128.02681142 120.3
[M]- 128.02790858 120.3
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