CID 17683531

N-(2-hydroxyethyl)-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1=CC=C(C(=C1)C(=O)NCCO)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)8-4-2-1-3-7(8)9(16)14-5-6-15/h1-4,15H,5-6H2,(H,14,16)
InChIKey
VSMZAHUHFRXRRE-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.073636 146.4
[M+Na]+ 256.055578 153.7
[M-H]- 232.059084 144.9
[M+NH4]+ 251.100183 163.3
[M+K]+ 272.029518 150.6
[M+H-H2O]+ 216.063620 138.2
[M+HCOO]- 278.064561 165.1
[M+CH3COO]- 292.080211 189.0
[M+Na-2H]- 254.041026 150.8
[M]+ 233.06581142 141.7
[M]- 233.06690858 141.7
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.