CID 86660270

312307-38-3

Structural Information

Molecular Formula
C11H7FN2O
SMILES
C1=CC=C(C(=C1)C(=O)CC(C#N)C#N)F
InChI
InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11(15)5-8(6-13)7-14/h1-4,8H,5H2
InChIKey
NOUFLZSMHQHSHA-UHFFFAOYSA-N
Compound name
2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

202.05424 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06152 154.6
[M+Na]+ 225.04346 164.0
[M-H]- 201.04696 157.0
[M+NH4]+ 220.08806 166.9
[M+K]+ 241.01740 160.3
[M+H-H2O]+ 185.05150 138.8
[M+HCOO]- 247.05244 165.8
[M+CH3COO]- 261.06809 217.5
[M+Na-2H]- 223.02891 155.4
[M]+ 202.05369 145.7
[M]- 202.05479 145.7
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