CID 20078054

1,1,1-trifluoro-2-phenylpropan-2-amine

Structural Information

Molecular Formula
C9H10F3N
SMILES
CC(C1=CC=CC=C1)(C(F)(F)F)N
InChI
InChI=1S/C9H10F3N/c1-8(13,9(10,11)12)7-5-3-2-4-6-7/h2-6H,13H2,1H3
InChIKey
ZNBISFMWGMZMEE-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.07654 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.5
[M+Na]+ 212.06576 144.2
[M-H]- 188.06926 135.9
[M+NH4]+ 207.11036 155.6
[M+K]+ 228.03970 141.4
[M+H-H2O]+ 172.07380 128.9
[M+HCOO]- 234.07474 155.1
[M+CH3COO]- 248.09039 183.9
[M+Na-2H]- 210.05121 143.5
[M]+ 189.07599 129.9
[M]- 189.07709 129.9
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