CID 14924434

158388-49-9

Structural Information

Molecular Formula
C9H7F6N
SMILES
C1=CC(=CC=C1C(C(F)(F)F)N)C(F)(F)F
InChI
InChI=1S/C9H7F6N/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7H,16H2
InChIKey
MSVVDWREITXLOD-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

243.04826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05554 162.6
[M+Na]+ 266.03748 167.0
[M+NH4]+ 261.08208 165.0
[M+K]+ 282.01142 163.3
[M-H]- 242.04098 156.4
[M+Na-2H]- 264.02293 163.4
[M]+ 243.04771 161.0
[M]- 243.04881 161.0
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