CID 47002578

Tert-butyl n-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate

Structural Information

Molecular Formula
C13H15ClF3NO2
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(F)(F)F)CCl
InChI
InChI=1S/C13H15ClF3NO2/c1-12(2,3)20-11(19)18-10-5-8(7-14)4-9(6-10)13(15,16)17/h4-6H,7H2,1-3H3,(H,18,19)
InChIKey
YXCWIXZTHGEEJV-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

309.07434 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08162 168.3
[M+Na]+ 332.06356 176.1
[M+NH4]+ 327.10816 172.6
[M+K]+ 348.03750 171.7
[M-H]- 308.06706 164.4
[M+Na-2H]- 330.04901 171.0
[M]+ 309.07379 168.3
[M]- 309.07489 168.3
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