CID 25094918

1-(2,4,5-trifluorophenyl)propan-2-amine

Structural Information

Molecular Formula
C9H10F3N
SMILES
CC(CC1=CC(=C(C=C1F)F)F)N
InChI
InChI=1S/C9H10F3N/c1-5(13)2-6-3-8(11)9(12)4-7(6)10/h3-5H,2,13H2,1H3
InChIKey
QKVCEEJOYPBGQX-UHFFFAOYSA-N
Compound name
1-(2,4,5-trifluorophenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.07654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.0
[M+Na]+ 212.06576 145.2
[M-H]- 188.06926 135.9
[M+NH4]+ 207.11036 155.7
[M+K]+ 228.03970 142.1
[M+H-H2O]+ 172.07380 127.9
[M+HCOO]- 234.07474 156.7
[M+CH3COO]- 248.09039 188.1
[M+Na-2H]- 210.05121 138.2
[M]+ 189.07599 131.1
[M]- 189.07709 131.1
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