CID 56687084

3-[3-(trifluoromethyl)phenyl]butan-1-amine

Structural Information

Molecular Formula
C11H14F3N
SMILES
CC(CCN)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3N/c1-8(5-6-15)9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKey
KPBOWSYPTSEMCL-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.10783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 146.1
[M+Na]+ 240.09705 153.2
[M-H]- 216.10055 145.3
[M+NH4]+ 235.14165 164.3
[M+K]+ 256.07099 149.9
[M+H-H2O]+ 200.10509 137.8
[M+HCOO]- 262.10603 164.6
[M+CH3COO]- 276.12168 191.5
[M+Na-2H]- 238.08250 149.3
[M]+ 217.10728 140.5
[M]- 217.10838 140.6
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