CID 165623626

Tert-butyl n-[2-amino-2-(2-chloro-5-fluorophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H18ClFN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=C(C=CC(=C1)F)Cl)N
InChI
InChI=1S/C13H18ClFN2O2/c1-13(2,3)19-12(18)17-7-11(16)9-6-8(15)4-5-10(9)14/h4-6,11H,7,16H2,1-3H3,(H,17,18)
InChIKey
VFBZZMXUKFQOHB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(2-chloro-5-fluorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1041 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11138 165.4
[M+Na]+ 311.09332 172.4
[M-H]- 287.09682 167.4
[M+NH4]+ 306.13792 181.6
[M+K]+ 327.06726 168.7
[M+H-H2O]+ 271.10136 159.2
[M+HCOO]- 333.10230 181.6
[M+CH3COO]- 347.11795 204.7
[M+Na-2H]- 309.07877 166.8
[M]+ 288.10355 166.2
[M]- 288.10465 166.2
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.