CID 2783094

5-fluoroisophthalonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
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

No literature data available for this compound.

Patent stripe

patents stripe