CID 3018052

70931-08-7

Structural Information

Molecular Formula
C16H12BrFN2O4
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2F)C(=O)CBr
InChI
InChI=1S/C16H12BrFN2O4/c1-19(15(21)9-17)14-7-6-10(20(23)24)8-12(14)16(22)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
InChIKey
XVSYYXIAMSDAFJ-UHFFFAOYSA-N
Compound name
2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.99646 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.00374 181.2
[M+Na]+ 416.98568 189.4
[M-H]- 392.98918 190.0
[M+NH4]+ 412.03028 195.2
[M+K]+ 432.95962 174.9
[M+H-H2O]+ 376.99372 181.4
[M+HCOO]- 438.99466 202.1
[M+CH3COO]- 453.01031 215.0
[M+Na-2H]- 414.97113 184.4
[M]+ 393.99591 199.2
[M]- 393.99701 199.2
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

patents stripe