CID 165588444

4-(1-(trifluoromethyl)cyclobutyl)aniline hydrochloride

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC(C1)(C2=CC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C11H12F3N/c12-11(13,14)10(6-1-7-10)8-2-4-9(15)5-3-8/h2-5H,1,6-7,15H2
InChIKey
JWSXVDLHPUOHML-UHFFFAOYSA-N
Compound name
4-[1-(trifluoromethyl)cyclobutyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 146.3
[M+Na]+ 238.08140 153.1
[M-H]- 214.08490 148.8
[M+NH4]+ 233.12600 159.9
[M+K]+ 254.05534 152.5
[M+H-H2O]+ 198.08944 133.5
[M+HCOO]- 260.09038 164.1
[M+CH3COO]- 274.10603 191.4
[M+Na-2H]- 236.06685 151.2
[M]+ 215.09163 147.7
[M]- 215.09273 147.7
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

No patent data available for this compound.