CID 12958680

2-(2-bromo-6-nitrophenyl)acetaldehyde

Structural Information

Molecular Formula
C8H6BrNO3
SMILES
C1=CC(=C(C(=C1)Br)CC=O)[N+](=O)[O-]
InChI
InChI=1S/C8H6BrNO3/c9-7-2-1-3-8(10(12)13)6(7)4-5-11/h1-3,5H,4H2
InChIKey
OOKCQYFQNZMYAK-UHFFFAOYSA-N
Compound name
2-(2-bromo-6-nitrophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.95311 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96039 142.5
[M+Na]+ 265.94233 154.1
[M-H]- 241.94583 149.2
[M+NH4]+ 260.98693 163.0
[M+K]+ 281.91627 139.7
[M+H-H2O]+ 225.95037 146.5
[M+HCOO]- 287.95131 166.1
[M+CH3COO]- 301.96696 183.4
[M+Na-2H]- 263.92778 151.2
[M]+ 242.95256 161.5
[M]- 242.95366 161.5
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.