CID 18543269

1-[2-fluoro-4-(trifluoromethyl)phenyl]ethan-1-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

207.06711 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.074386 139.1
[M+Na]+ 230.056328 148.0
[M-H]- 206.059834 137.7
[M+NH4]+ 225.100933 157.9
[M+K]+ 246.030268 144.9
[M+H-H2O]+ 190.064370 130.5
[M+HCOO]- 252.065311 157.2
[M+CH3COO]- 266.080961 189.5
[M+Na-2H]- 228.041776 142.1
[M]+ 207.06656142 131.9
[M]- 207.06765858 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