CID 60205178

(1r)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9F4N
SMILES
C[C@H](C1=C(C(=CC=C1)C(F)(F)F)F)N
InChI
InChI=1S/C9H9F4N/c1-5(14)6-3-2-4-7(8(6)10)9(11,12)13/h2-5H,14H2,1H3/t5-/m1/s1
InChIKey
DPNRVWDJFMNADR-RXMQYKEDSA-N
Compound name
(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

207.06711 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07439 139.1
[M+Na]+ 230.05633 148.0
[M-H]- 206.05983 137.7
[M+NH4]+ 225.10093 157.9
[M+K]+ 246.03027 144.9
[M+H-H2O]+ 190.06437 130.5
[M+HCOO]- 252.06531 157.2
[M+CH3COO]- 266.08096 189.5
[M+Na-2H]- 228.04178 142.1
[M]+ 207.06656 131.9
[M]- 207.06766 131.9
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