CID 63788401

3-bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H8BrF2NO
SMILES
C1CN(C(=O)C1Br)C2=C(C=CC=C2F)F
InChI
InChI=1S/C10H8BrF2NO/c11-6-4-5-14(10(6)15)9-7(12)2-1-3-8(9)13/h1-3,6H,4-5H2
InChIKey
MYQISHSUKPPWJD-UHFFFAOYSA-N
Compound name
3-bromo-1-(2,6-difluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.97574 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98302 152.1
[M+Na]+ 297.96496 165.4
[M-H]- 273.96846 158.2
[M+NH4]+ 293.00956 172.9
[M+K]+ 313.93890 153.5
[M+H-H2O]+ 257.97300 150.3
[M+HCOO]- 319.97394 170.5
[M+CH3COO]- 333.98959 194.1
[M+Na-2H]- 295.95041 154.7
[M]+ 274.97519 167.1
[M]- 274.97629 167.1
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.