CID 52712

Brn 2999620

Structural Information

Molecular Formula
C14H17ClF3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CCl
InChI
InChI=1S/C14H17ClF3NO2/c1-10(19-5-6-21-13(20)9-15)7-11-3-2-4-12(8-11)14(16,17)18/h2-4,8,10,19H,5-7,9H2,1H3
InChIKey
YGLBUZUYSLTDMF-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09728 170.3
[M+Na]+ 346.07922 177.6
[M+NH4]+ 341.12382 174.6
[M+K]+ 362.05316 172.5
[M-H]- 322.08272 166.7
[M+Na-2H]- 344.06467 172.8
[M]+ 323.08945 170.1
[M]- 323.09055 170.1
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.