CID 16046477

929642-58-0

Structural Information

Molecular Formula
C8H7F4N
SMILES
C1=CC(=CC=C1[C@@H](C(F)(F)F)N)F
InChI
InChI=1S/C8H7F4N/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4,7H,13H2/t7-/m0/s1
InChIKey
FRDAKAYQSQLWRW-ZETCQYMHSA-N
Compound name
(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

193.05147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 134.7
[M+Na]+ 216.04069 143.1
[M-H]- 192.04419 133.0
[M+NH4]+ 211.08529 153.7
[M+K]+ 232.01463 140.1
[M+H-H2O]+ 176.04873 126.0
[M+HCOO]- 238.04967 153.1
[M+CH3COO]- 252.06532 185.3
[M+Na-2H]- 214.02614 138.9
[M]+ 193.05092 126.8
[M]- 193.05202 126.8
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