CID 3034124

2011-70-3

Structural Information

Molecular Formula
C15H11BrN2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CBr
InChI
InChI=1S/C15H11BrN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)
InChIKey
USZJZGVAIGKLRF-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

361.99023 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99751 173.4
[M+Na]+ 384.97945 180.9
[M-H]- 360.98295 182.0
[M+NH4]+ 380.02405 187.8
[M+K]+ 400.95339 165.8
[M+H-H2O]+ 344.98749 174.7
[M+HCOO]- 406.98843 195.2
[M+CH3COO]- 421.00408 205.5
[M+Na-2H]- 382.96490 179.1
[M]+ 361.98968 190.7
[M]- 361.99078 190.7
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

patents stripe