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

13
Patents

217.10783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 145.9
[M+Na]+ 240.09705 153.3
[M-H]- 216.10055 145.0
[M+NH4]+ 235.14165 164.2
[M+K]+ 256.07099 149.5
[M+H-H2O]+ 200.10509 137.5
[M+HCOO]- 262.10603 165.4
[M+CH3COO]- 276.12168 190.7
[M+Na-2H]- 238.08250 150.3
[M]+ 217.10728 141.0
[M]- 217.10838 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