CID 3627607

N-(6-hydroxyhexyl)trifluoroacetamide

Structural Information

Molecular Formula
C8H14F3NO2
SMILES
C(CCCO)CCNC(=O)C(F)(F)F
InChI
InChI=1S/C8H14F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h13H,1-6H2,(H,12,14)
InChIKey
BGCYSPBEPMOQII-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

213.09766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10494 145.0
[M+Na]+ 236.08688 150.8
[M-H]- 212.09038 139.6
[M+NH4]+ 231.13148 162.7
[M+K]+ 252.06082 148.9
[M+H-H2O]+ 196.09492 137.5
[M+HCOO]- 258.09586 162.6
[M+CH3COO]- 272.11151 186.5
[M+Na-2H]- 234.07233 148.3
[M]+ 213.09711 141.4
[M]- 213.09821 141.4
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