CID 2779452

2'-amino-4'-trifluoromethylacetanilide

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C9H9F3N2O/c1-5(15)14-8-3-2-6(4-7(8)13)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChIKey
YBCKBOPAWVBWJH-UHFFFAOYSA-N
Compound name
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

218.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 142.6
[M+Na]+ 241.05592 150.9
[M-H]- 217.05942 142.5
[M+NH4]+ 236.10052 160.6
[M+K]+ 257.02986 148.1
[M+H-H2O]+ 201.06396 134.3
[M+HCOO]- 263.06490 163.2
[M+CH3COO]- 277.08055 192.1
[M+Na-2H]- 239.04137 146.5
[M]+ 218.06615 136.6
[M]- 218.06725 136.6
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