CID 50988668

3-[4-(trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.09218 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 144.7
[M+Na]+ 238.081398 151.5
[M-H]- 214.084904 147.2
[M+NH4]+ 233.126003 156.6
[M+K]+ 254.055338 150.8
[M+H-H2O]+ 198.089440 131.0
[M+HCOO]- 260.090381 162.5
[M+CH3COO]- 274.106031 192.9
[M+Na-2H]- 236.066846 148.0
[M]+ 215.09163142 146.2
[M]- 215.09272858 146.2
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