CID 2776883

2',4',6'-trifluoroacetanilide

Structural Information

Molecular Formula
C8H6F3NO
SMILES
CC(=O)NC1=C(C=C(C=C1F)F)F
InChI
InChI=1S/C8H6F3NO/c1-4(13)12-8-6(10)2-5(9)3-7(8)11/h2-3H,1H3,(H,12,13)
InChIKey
UJBJFKXPSUIWEA-UHFFFAOYSA-N
Compound name
N-(2,4,6-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.04015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 132.5
[M+Na]+ 212.02937 142.6
[M-H]- 188.03287 133.2
[M+NH4]+ 207.07397 152.5
[M+K]+ 228.00331 139.9
[M+H-H2O]+ 172.03741 124.5
[M+HCOO]- 234.03835 154.7
[M+CH3COO]- 248.05400 186.2
[M+Na-2H]- 210.01482 136.4
[M]+ 189.03960 129.0
[M]- 189.04070 129.0
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

patents stripe