CID 23544232

4-[4-(trifluoromethyl)phenyl]butan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14F3N
SMILES
C1=CC(=CC=C1CCCCN)C(F)(F)F
InChI
InChI=1S/C11H14F3N/c12-11(13,14)10-6-4-9(5-7-10)3-1-2-8-15/h4-7H,1-3,8,15H2
InChIKey
LBGXWAZWKHFXPB-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)phenyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

217.10783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.115106 145.9
[M+Na]+ 240.097048 153.3
[M-H]- 216.100554 145.0
[M+NH4]+ 235.141653 164.2
[M+K]+ 256.070988 149.5
[M+H-H2O]+ 200.105090 137.5
[M+HCOO]- 262.106031 165.4
[M+CH3COO]- 276.121681 190.7
[M+Na-2H]- 238.082496 150.3
[M]+ 217.10728142 141.0
[M]- 217.10837858 141.0
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