CID 4430239

Cyclopropyl[3-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC1C(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7,10H,4-5,15H2
InChIKey
NSVKYISBQIIXQE-UHFFFAOYSA-N
Compound name
cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 151.4
[M+Na]+ 238.08140 160.0
[M+NH4]+ 233.12600 157.8
[M+K]+ 254.05534 156.7
[M-H]- 214.08490 156.3
[M+Na-2H]- 236.06685 158.1
[M]+ 215.09163 154.6
[M]- 215.09273 154.6
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.