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]+ 192.08193 140.6
[M+Na]+ 214.06387 150.0
[M-H]- 190.06737 142.7
[M+NH4]+ 209.10847 158.2
[M+K]+ 230.03781 146.9
[M+H-H2O]+ 174.07191 127.6
[M+HCOO]- 236.07285 158.6
[M+CH3COO]- 250.08850 197.1
[M+Na-2H]- 212.04932 143.8
[M]+ 191.07410 134.9
[M]- 191.07520 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.