CID 43825172

2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

243.04826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.055536 144.9
[M+Na]+ 266.037478 153.5
[M-H]- 242.040984 140.7
[M+NH4]+ 261.082083 161.8
[M+K]+ 282.011418 149.9
[M+H-H2O]+ 226.045520 134.7
[M+HCOO]- 288.046461 159.2
[M+CH3COO]- 302.062111 193.9
[M+Na-2H]- 264.022926 148.1
[M]+ 243.04771142 134.1
[M]- 243.04880858 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