CID 9856159

1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

Structural Information

Molecular Formula
C15H10FNO
SMILES
C1C2=C(C=CC(=C2)C#N)C(O1)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2
InChIKey
YXCRMKYHFFMNPT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

239.07465 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08193 152.8
[M+Na]+ 262.06387 165.2
[M-H]- 238.06737 158.5
[M+NH4]+ 257.10847 170.1
[M+K]+ 278.03781 158.3
[M+H-H2O]+ 222.07191 139.0
[M+HCOO]- 284.07285 170.8
[M+CH3COO]- 298.08850 164.6
[M+Na-2H]- 260.04932 157.1
[M]+ 239.07410 147.3
[M]- 239.07520 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe