CID 43825132

3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine

Structural Information

Molecular Formula
C10H9F6N
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(CC(F)(F)F)N
InChI
InChI=1S/C10H9F6N/c11-9(12,13)5-8(17)6-2-1-3-7(4-6)10(14,15)16/h1-4,8H,5,17H2
InChIKey
RMRLJURMVRQWOM-UHFFFAOYSA-N
Compound name
3,3,3-trifluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0639 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.071176 149.7
[M+Na]+ 280.053118 157.9
[M-H]- 256.056624 145.3
[M+NH4]+ 275.097723 166.0
[M+K]+ 296.027058 154.0
[M+H-H2O]+ 240.061160 139.2
[M+HCOO]- 302.062101 163.6
[M+CH3COO]- 316.077751 196.9
[M+Na-2H]- 278.038566 152.3
[M]+ 257.06335142 139.2
[M]- 257.06444858 139.2
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

No patent data available for this compound.