CID 83854117

3-(1,2,2,2-tetrafluoroethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=CC(=CC(=C1)N)C(C(F)(F)F)F
InChI
InChI=1S/C8H7F4N/c9-7(8(10,11)12)5-2-1-3-6(13)4-5/h1-4,7H,13H2
InChIKey
IXBYFFSOEJUOIK-UHFFFAOYSA-N
Compound name
3-(1,2,2,2-tetrafluoroethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.05147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 144.1
[M+Na]+ 216.04069 151.4
[M+NH4]+ 211.08529 149.1
[M+K]+ 232.01463 146.9
[M-H]- 192.04419 140.4
[M+Na-2H]- 214.02614 147.5
[M]+ 193.05092 143.7
[M]- 193.05202 143.7
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

patents stripe