CID 2773937

116617-31-3

Structural Information

Molecular Formula
C15H9FN2
SMILES
C1=CC=C(C(=C1)C#N)C(C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H9FN2/c16-13-7-5-11(6-8-13)15(10-18)14-4-2-1-3-12(14)9-17/h1-8,15H
InChIKey
BRHKEEJUFXPRIJ-UHFFFAOYSA-N
Compound name
2-[cyano-(4-fluorophenyl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.07498 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08226 165.1
[M+Na]+ 259.06420 175.6
[M-H]- 235.06770 168.6
[M+NH4]+ 254.10880 176.4
[M+K]+ 275.03814 168.7
[M+H-H2O]+ 219.07224 148.6
[M+HCOO]- 281.07318 176.6
[M+CH3COO]- 295.08883 172.0
[M+Na-2H]- 257.04965 166.0
[M]+ 236.07443 155.5
[M]- 236.07553 155.5
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