CID 151890382

Sir1-365

Structural Information

Molecular Formula

C₁₃H₁₇F₂NO₂

SMILES

CCC(C)(C)C(=O)N(CC1=CC(=CC(=C1)F)F)O

InChI

InChI=1S/C13H17F2NO2/c1-4-13(2,3)12(17)16(18)8-9-5-10(14)7-11(15)6-9/h5-7,18H,4,8H2,1-3H3

InChIKey

SQPMQJPGOUAGHC-UHFFFAOYSA-N

Compound name

N-[(3,5-difluorophenyl)methyl]-N-hydroxy-2,2-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 22
Patents: 257.12274 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.13002	156.5
[M+Na]+	280.11196	163.5
[M-H]-	256.11546	157.7
[M+NH4]+	275.15656	173.4
[M+K]+	296.08590	161.6
[M+H-H2O]+	240.12000	148.8
[M+HCOO]-	302.12094	175.7
[M+CH3COO]-	316.13659	200.6
[M+Na-2H]-	278.09741	158.5
[M]+	257.12219	155.8
[M]-	257.12329	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe