CID 50986362

N-tert-butyl-2-chloro-n-[(3-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula
C13H17ClFNO
SMILES
CC(C)(C)N(CC1=CC(=CC=C1)F)C(=O)CCl
InChI
InChI=1S/C13H17ClFNO/c1-13(2,3)16(12(17)8-14)9-10-5-4-6-11(15)7-10/h4-7H,8-9H2,1-3H3
InChIKey
NDPWEBDHZUVUKM-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-chloro-N-[(3-fluorophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09827 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10555 156.9
[M+Na]+ 280.08749 164.4
[M-H]- 256.09099 160.5
[M+NH4]+ 275.13209 175.4
[M+K]+ 296.06143 161.1
[M+H-H2O]+ 240.09553 150.7
[M+HCOO]- 302.09647 174.0
[M+CH3COO]- 316.11212 200.3
[M+Na-2H]- 278.07294 160.3
[M]+ 257.09772 159.6
[M]- 257.09882 159.6
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.