CID 3078720

122277-22-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.9793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98658 152.3
[M+Na]+ 309.96852 162.8
[M-H]- 285.97202 158.2
[M+NH4]+ 305.01312 171.1
[M+K]+ 325.94246 152.8
[M+H-H2O]+ 269.97656 151.0
[M+HCOO]- 331.97750 173.4
[M+CH3COO]- 345.99315 197.3
[M+Na-2H]- 307.95397 156.3
[M]+ 286.97875 172.6
[M]- 286.97985 172.6
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.