CID 32259

Triflumidate

Structural Information

Molecular Formula
C17H14F3NO5S
SMILES
CCOC(=O)N(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C17H14F3NO5S/c1-2-26-16(23)21(27(24,25)17(18,19)20)14-10-6-9-13(11-14)15(22)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKey
ULANGSAJTINEBA-UHFFFAOYSA-N
Compound name
ethyl N-(3-benzoylphenyl)-N-(trifluoromethylsulfonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3111
Patents

401.05447 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06175 186.9
[M+Na]+ 424.04369 193.4
[M+NH4]+ 419.08829 189.4
[M+K]+ 440.01763 189.0
[M-H]- 400.04719 183.5
[M+Na-2H]- 422.02914 190.7
[M]+ 401.05392 186.8
[M]- 401.05502 186.8
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