CID 42632507

2-(4-chlorophenoxy)-5-fluorobenzaldehyde

Structural Information

Molecular Formula
C13H8ClFO2
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)F)C=O)Cl
InChI
InChI=1S/C13H8ClFO2/c14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16/h1-8H
InChIKey
RYYUVUCBSIGEIF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01968 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02696 148.5
[M+Na]+ 273.00890 159.5
[M-H]- 249.01240 154.6
[M+NH4]+ 268.05350 166.9
[M+K]+ 288.98284 154.2
[M+H-H2O]+ 233.01694 141.5
[M+HCOO]- 295.01788 168.3
[M+CH3COO]- 309.03353 192.1
[M+Na-2H]- 270.99435 154.0
[M]+ 250.01913 151.8
[M]- 250.02023 151.8
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.