CID 310095

114995-47-0

Structural Information

Molecular Formula
C11H14FNO
SMILES
CC(C)(C)C(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C11H14FNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKey
DDRGTIBAQBROSP-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

99
Patents

195.10594 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.113216 141.9
[M+Na]+ 218.095158 149.3
[M-H]- 194.098664 144.6
[M+NH4]+ 213.139763 161.5
[M+K]+ 234.069098 147.3
[M+H-H2O]+ 178.103200 135.6
[M+HCOO]- 240.104141 163.8
[M+CH3COO]- 254.119791 187.0
[M+Na-2H]- 216.080606 147.6
[M]+ 195.10539142 140.5
[M]- 195.10648858 140.5
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