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

396
Patents

211.00925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01653 134.7
[M+Na]+ 233.99847 144.0
[M-H]- 210.00197 133.5
[M+NH4]+ 229.04307 153.8
[M+K]+ 249.97241 143.3
[M+H-H2O]+ 194.00651 127.2
[M+HCOO]- 256.00745 152.5
[M+CH3COO]- 270.02310 181.6
[M+Na-2H]- 231.98392 137.1
[M]+ 211.00870 131.4
[M]- 211.00980 131.4
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.