CID 64601385

1491801-74-1

Structural Information

Molecular Formula
C12H7ClFNO2
SMILES
C1=CC(=C(C=C1F)C=O)OC2=CC(=CN=C2)Cl
InChI
InChI=1S/C12H7ClFNO2/c13-9-4-11(6-15-5-9)17-12-2-1-10(14)3-8(12)7-16/h1-7H
InChIKey
QMUDLBSQSHSAHM-UHFFFAOYSA-N
Compound name
2-(5-chloropyridin-3-yl)oxy-5-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.01494 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.02222 150.2
[M+Na]+ 274.00416 166.2
[M+NH4]+ 269.04876 158.3
[M+K]+ 289.97810 158.0
[M-H]- 250.00766 152.8
[M+Na-2H]- 271.98961 159.5
[M]+ 251.01439 153.6
[M]- 251.01549 153.6
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.