CID 25131905

2-fluoro-5-[(e)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile

Structural Information

Molecular Formula
C16H8FNO2
SMILES
C1=CC=C2C(=C1)/C(=C\C3=CC(=C(C=C3)F)C#N)/OC2=O
InChI
InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H/b15-8+
InChIKey
MMPHWTMMVPBHRZ-OVCLIPMQSA-N
Compound name
2-fluoro-5-[(E)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

265.0539 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06118 160.2
[M+Na]+ 288.04312 173.4
[M-H]- 264.04662 166.2
[M+NH4]+ 283.08772 176.6
[M+K]+ 304.01706 165.9
[M+H-H2O]+ 248.05116 146.4
[M+HCOO]- 310.05210 178.4
[M+CH3COO]- 324.06775 171.8
[M+Na-2H]- 286.02857 163.3
[M]+ 265.05335 155.3
[M]- 265.05445 155.3
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

patents stripe