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]+ 218.115106 146.1
[M+Na]+ 240.097048 153.2
[M-H]- 216.100554 145.3
[M+NH4]+ 235.141653 164.3
[M+K]+ 256.070988 149.9
[M+H-H2O]+ 200.105090 137.8
[M+HCOO]- 262.106031 164.6
[M+CH3COO]- 276.121681 191.5
[M+Na-2H]- 238.082496 149.3
[M]+ 217.10728142 140.5
[M]- 217.10837858 140.5
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