CID 24212581

1-(5-bromo-2-fluorobenzoyl)pyrrolidine

Structural Information

Molecular Formula
C11H11BrFNO
SMILES
C1CCN(C1)C(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C11H11BrFNO/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKey
TTXXNNHVEFPIEN-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00808 154.6
[M+Na]+ 293.99002 165.5
[M-H]- 269.99352 161.3
[M+NH4]+ 289.03462 175.1
[M+K]+ 309.96396 154.4
[M+H-H2O]+ 253.99806 153.3
[M+HCOO]- 315.99900 172.8
[M+CH3COO]- 330.01465 192.4
[M+Na-2H]- 291.97547 157.4
[M]+ 271.00025 169.7
[M]- 271.00135 169.7
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.