CID 14278852

Ethyl 2-(4-bromo-3-nitrophenyl)acetate

Structural Information

Molecular Formula
C10H10BrNO4
SMILES
CCOC(=O)CC1=CC(=C(C=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H10BrNO4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6H2,1H3
InChIKey
AHCPQJTZILYMBN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-bromo-3-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

286.9793 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98658 154.9
[M+Na]+ 309.96852 165.2
[M-H]- 285.97202 161.2
[M+NH4]+ 305.01312 173.5
[M+K]+ 325.94246 151.2
[M+H-H2O]+ 269.97656 158.2
[M+HCOO]- 331.97750 177.1
[M+CH3COO]- 345.99315 191.1
[M+Na-2H]- 307.95397 161.5
[M]+ 286.97875 175.1
[M]- 286.97985 175.1
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