CID 104088

52130-86-6

Structural Information

Molecular Formula
C15H10BrFN2O4
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CBr)F
InChI
InChI=1S/C15H10BrFN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
InChIKey
DGIHQJAKOHGCOQ-UHFFFAOYSA-N
Compound name
2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.9808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98808 176.8
[M+Na]+ 402.97002 185.2
[M-H]- 378.97352 184.4
[M+NH4]+ 398.01462 190.7
[M+K]+ 418.94396 169.6
[M+H-H2O]+ 362.97806 177.3
[M+HCOO]- 424.97900 197.6
[M+CH3COO]- 438.99465 209.1
[M+Na-2H]- 400.95547 181.2
[M]+ 379.98025 193.4
[M]- 379.98135 193.4
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

patents stripe