CID 71742696

1416439-44-5

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC(C1)(C2=CC=CC=C2C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10(15)6-3-7-10/h1-2,4-5H,3,6-7,15H2
InChIKey
HPJZZIPRBCMSIO-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

215.09218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.099456 146.3
[M+Na]+ 238.081398 153.1
[M-H]- 214.084904 148.8
[M+NH4]+ 233.126003 159.9
[M+K]+ 254.055338 152.5
[M+H-H2O]+ 198.089440 133.5
[M+HCOO]- 260.090381 164.1
[M+CH3COO]- 274.106031 191.4
[M+Na-2H]- 236.066846 151.2
[M]+ 215.09163142 147.7
[M]- 215.09272858 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

patents stripe