CID 2324670

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
C1=CC(=C(C=C1CCNC(=O)C(F)(F)F)O)O
InChI
InChI=1S/C10H10F3NO3/c11-10(12,13)9(17)14-4-3-6-1-2-7(15)8(16)5-6/h1-2,5,15-16H,3-4H2,(H,14,17)
InChIKey
JJYLBMVSKRNRPC-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

249.06128 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.068556 149.4
[M+Na]+ 272.050498 157.0
[M-H]- 248.054004 146.7
[M+NH4]+ 267.095103 165.1
[M+K]+ 288.024438 153.7
[M+H-H2O]+ 232.058540 141.3
[M+HCOO]- 294.059481 166.6
[M+CH3COO]- 308.075131 189.9
[M+Na-2H]- 270.035946 152.7
[M]+ 249.06073142 144.6
[M]- 249.06182858 144.6
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