CID 104089

52130-87-7

Structural Information

Molecular Formula
C15H10BrClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CBr)Cl
InChI
InChI=1S/C15H10BrClN2O4/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
XSTMFEOLMKEEMU-UHFFFAOYSA-N
Compound name
2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

395.95126 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.95854 179.1
[M+Na]+ 418.94048 188.2
[M-H]- 394.94398 187.8
[M+NH4]+ 413.98508 193.4
[M+K]+ 434.91442 171.5
[M+H-H2O]+ 378.94852 181.6
[M+HCOO]- 440.94946 196.6
[M+CH3COO]- 454.96511 210.0
[M+Na-2H]- 416.92593 183.8
[M]+ 395.95071 199.0
[M]- 395.95181 199.0
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