CID 10909725

5-cyano-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C8H4FNO
SMILES
C1=CC(=C(C=C1C#N)C=O)F
InChI
InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
InChIKey
QVBHRCAJZGMNFX-UHFFFAOYSA-N
Compound name
4-fluoro-3-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

354
Patents

149.0277 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03498 125.4
[M+Na]+ 172.01692 137.2
[M-H]- 148.02042 128.2
[M+NH4]+ 167.06152 144.9
[M+K]+ 187.99086 134.1
[M+H-H2O]+ 132.02496 113.1
[M+HCOO]- 194.02590 146.1
[M+CH3COO]- 208.04155 188.4
[M+Na-2H]- 170.00237 131.9
[M]+ 149.02715 120.3
[M]- 149.02825 120.3
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