CID 202921

4-fluoroisophthalonitrile

Structural Information

Molecular Formula
C8H3FN2
SMILES
C1=CC(=C(C=C1C#N)C#N)F
InChI
InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H
InChIKey
FVEDLRVIWHFCBB-UHFFFAOYSA-N
Compound name
4-fluorobenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

95
Patents

146.02803 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.03531 140.2
[M+Na]+ 169.01725 151.3
[M-H]- 145.02075 143.2
[M+NH4]+ 164.06185 154.5
[M+K]+ 184.99119 147.8
[M+H-H2O]+ 129.02529 125.2
[M+HCOO]- 191.02623 153.2
[M+CH3COO]- 205.04188 210.7
[M+Na-2H]- 167.00270 143.7
[M]+ 146.02748 131.5
[M]- 146.02858 131.5
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