CID 17606

2698-43-3

Structural Information

Molecular Formula
C10H5FN2
SMILES
C1=CC=C(C(=C1)C=C(C#N)C#N)F
InChI
InChI=1S/C10H5FN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChIKey
XLEWRBXVBOUONK-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

172.04367 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05095 149.3
[M+Na]+ 195.03289 159.3
[M-H]- 171.03639 151.9
[M+NH4]+ 190.07749 162.6
[M+K]+ 211.00683 155.1
[M+H-H2O]+ 155.04093 133.8
[M+HCOO]- 217.04187 161.3
[M+CH3COO]- 231.05752 213.3
[M+Na-2H]- 193.01834 151.3
[M]+ 172.04312 139.8
[M]- 172.04422 139.8
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