CID 10822376

63281-48-1

Structural Information

Molecular Formula
C8H6F5N
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)(F)F)N
InChI
InChI=1S/C8H6F5N/c9-7(10,8(11,12)13)5-3-1-2-4-6(5)14/h1-4H,14H2
InChIKey
JPKZRAFDDPJCJT-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,2-pentafluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

211.04204 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04932 137.3
[M+Na]+ 234.03126 146.5
[M-H]- 210.03476 134.5
[M+NH4]+ 229.07586 155.6
[M+K]+ 250.00520 143.0
[M+H-H2O]+ 194.03930 128.1
[M+HCOO]- 256.04024 154.0
[M+CH3COO]- 270.05589 187.8
[M+Na-2H]- 232.01671 142.9
[M]+ 211.04149 128.2
[M]- 211.04259 128.2
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