CID 50988666

3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1C(CC1N)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)6-8/h1-4,8,10H,5-6,15H2
InChIKey
SRHWDXIGQIWABB-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 155.3
[M+Na]+ 238.08140 160.3
[M+NH4]+ 233.12600 158.1
[M+K]+ 254.05534 155.9
[M-H]- 214.08490 152.2
[M+Na-2H]- 236.06685 157.5
[M]+ 215.09163 153.8
[M]- 215.09273 153.8
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