CID 59366910

2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine

Structural Information

Molecular Formula
C10H11F4N
SMILES
CC(C)(C1=CC(=C(C=C1)F)C(F)(F)F)N
InChI
InChI=1S/C10H11F4N/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,15H2,1-2H3
InChIKey
MDNXBDTVWFHVAC-UHFFFAOYSA-N
Compound name
2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.08276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09004 143.6
[M+Na]+ 244.07198 152.8
[M-H]- 220.07548 142.2
[M+NH4]+ 239.11658 161.9
[M+K]+ 260.04592 149.3
[M+H-H2O]+ 204.08002 135.3
[M+HCOO]- 266.08096 160.7
[M+CH3COO]- 280.09661 192.1
[M+Na-2H]- 242.05743 148.0
[M]+ 221.08221 136.8
[M]- 221.08331 136.8
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