CID 3077944

Brn 4762590

Structural Information

Molecular Formula
C17H20F3NO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H20F3NO3/c1-2-3-4-10-24-15-9-8-14(22)21(15)16(23)12-6-5-7-13(11-12)17(18,19)20/h5-7,11,15H,2-4,8-10H2,1H3
InChIKey
BSMORGFZPHBFNY-UHFFFAOYSA-N
Compound name
5-pentoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13953 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14681 178.2
[M+Na]+ 366.12875 184.9
[M-H]- 342.13225 179.3
[M+NH4]+ 361.17335 192.1
[M+K]+ 382.10269 180.9
[M+H-H2O]+ 326.13679 168.2
[M+HCOO]- 388.13773 193.4
[M+CH3COO]- 402.15338 210.1
[M+Na-2H]- 364.11420 176.2
[M]+ 343.13898 176.2
[M]- 343.14008 176.2
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.