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 144.9
[M+Na]+ 266.03748 153.5
[M-H]- 242.04098 140.7
[M+NH4]+ 261.08208 161.8
[M+K]+ 282.01142 149.9
[M+H-H2O]+ 226.04552 134.7
[M+HCOO]- 288.04646 159.2
[M+CH3COO]- 302.06211 193.9
[M+Na-2H]- 264.02293 148.1
[M]+ 243.04771 134.1
[M]- 243.04881 134.1
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