CID 53403529

2-(2-fluoro-4-trifluoromethyl-phenyl)-ethylamine hydrochloride

Structural Information

Molecular Formula
C9H9F4N
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)CCN
InChI
InChI=1S/C9H9F4N/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-14/h1-2,5H,3-4,14H2
InChIKey
ZERSTGLGQNKGSN-UHFFFAOYSA-N
Compound name
2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 148.3
[M-H]- 206.05983 137.5
[M+NH4]+ 225.10093 157.9
[M+K]+ 246.03027 144.6
[M+H-H2O]+ 190.06437 130.4
[M+HCOO]- 252.06531 158.2
[M+CH3COO]- 266.08096 188.6
[M+Na-2H]- 228.04178 143.3
[M]+ 207.06656 132.6
[M]- 207.06766 132.6
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