CID 59314738

4,4,4-trifluoro-1-phenylbutan-1-amine

Structural Information

Molecular Formula
C10H12F3N
SMILES
C1=CC=C(C=C1)C(CCC(F)(F)F)N
InChI
InChI=1S/C10H12F3N/c11-10(12,13)7-6-9(14)8-4-2-1-3-5-8/h1-5,9H,6-7,14H2
InChIKey
AJWAQBPTOKKZKY-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

203.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 141.7
[M+Na]+ 226.08140 148.2
[M-H]- 202.08490 140.6
[M+NH4]+ 221.12600 160.1
[M+K]+ 242.05534 145.2
[M+H-H2O]+ 186.08944 133.3
[M+HCOO]- 248.09038 160.5
[M+CH3COO]- 262.10603 187.3
[M+Na-2H]- 224.06685 146.1
[M]+ 203.09163 135.4
[M]- 203.09273 135.4
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