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-chloro-3-pyridinyl)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 148.3
[M+Na]+ 274.00416 159.7
[M-H]- 250.00766 153.0
[M+NH4]+ 269.04876 165.2
[M+K]+ 289.97810 154.4
[M+H-H2O]+ 234.01220 140.3
[M+HCOO]- 296.01314 167.0
[M+CH3COO]- 310.02879 191.7
[M+Na-2H]- 271.98961 154.4
[M]+ 251.01439 151.6
[M]- 251.01549 151.6
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.