CID 61645003

4-(4-fluorophenyl)-2-methyl-4-oxobutanenitrile

Structural Information

Molecular Formula
C11H10FNO
SMILES
CC(CC(=O)C1=CC=C(C=C1)F)C#N
InChI
InChI=1S/C11H10FNO/c1-8(7-13)6-11(14)9-2-4-10(12)5-3-9/h2-5,8H,6H2,1H3
InChIKey
NRNSHBGRQZODKD-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-methyl-4-oxobutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07465 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.081926 140.6
[M+Na]+ 214.063868 150.0
[M-H]- 190.067374 142.7
[M+NH4]+ 209.108473 158.2
[M+K]+ 230.037808 146.9
[M+H-H2O]+ 174.071910 127.6
[M+HCOO]- 236.072851 158.6
[M+CH3COO]- 250.088501 197.1
[M+Na-2H]- 212.049316 143.8
[M]+ 191.07410142 134.9
[M]- 191.07519858 134.9
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

No patent data available for this compound.