CID 3596687

438221-97-7

Structural Information

Molecular Formula
C12H8ClFO3
SMILES
C1=CC(=C(C=C1F)Cl)OCC2=CC=C(O2)C=O
InChI
InChI=1S/C12H8ClFO3/c13-11-5-8(14)1-4-12(11)16-7-10-3-2-9(6-15)17-10/h1-6H,7H2
InChIKey
ZIFBPWJYHBDSAL-UHFFFAOYSA-N
Compound name
5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0146 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02188 149.9
[M+Na]+ 277.00382 161.2
[M-H]- 253.00732 156.8
[M+NH4]+ 272.04842 168.6
[M+K]+ 292.97776 157.6
[M+H-H2O]+ 237.01186 143.6
[M+HCOO]- 299.01280 170.0
[M+CH3COO]- 313.02845 191.0
[M+Na-2H]- 274.98927 154.2
[M]+ 254.01405 155.5
[M]- 254.01515 155.5
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

No patent data available for this compound.