CID 10867564

N-succinimidyl trifluoroacetate

Structural Information

Molecular Formula

C₆H₄F₃NO₄

SMILES

C1CC(=O)N(C1=O)OC(=O)C(F)(F)F

InChI

InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)14-10-3(11)1-2-4(10)12/h1-2H2

InChIKey

NIANZCQUVKPGSF-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 397
Patents: 211.00925 Da
Monoisotopic Mass: 0.3
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]+	212.016526	134.7
[M+Na]+	233.998468	144.0
[M-H]-	210.001974	133.5
[M+NH4]+	229.043073	153.8
[M+K]+	249.972408	143.3
[M+H-H2O]+	194.006510	127.2
[M+HCOO]-	256.007451	152.5
[M+CH3COO]-	270.023101	181.6
[M+Na-2H]-	231.983916	137.1
[M]+	211.00870142	131.4
[M]-	211.00979858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe