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]+ 258.07118 149.7
[M+Na]+ 280.05312 157.9
[M-H]- 256.05662 145.3
[M+NH4]+ 275.09772 166.0
[M+K]+ 296.02706 154.0
[M+H-H2O]+ 240.06116 139.2
[M+HCOO]- 302.06210 163.6
[M+CH3COO]- 316.07775 196.9
[M+Na-2H]- 278.03857 152.3
[M]+ 257.06335 139.2
[M]- 257.06445 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.