CID 16782908

2-(n-methyl5-bromofuran-2-amido)benzoic acid

Structural Information

Molecular Formula
C13H10BrNO4
SMILES
CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C13H10BrNO4/c1-15(12(16)10-6-7-11(14)19-10)9-5-3-2-4-8(9)13(17)18/h2-7H,1H3,(H,17,18)
InChIKey
RZWDCSZOZGVDNQ-UHFFFAOYSA-N
Compound name
2-[(5-bromofuran-2-carbonyl)-methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.9793 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.98658 165.7
[M+Na]+ 345.96852 175.7
[M-H]- 321.97202 175.9
[M+NH4]+ 341.01312 183.3
[M+K]+ 361.94246 167.0
[M+H-H2O]+ 305.97656 164.4
[M+HCOO]- 367.97750 186.7
[M+CH3COO]- 381.99315 203.8
[M+Na-2H]- 343.95397 168.8
[M]+ 322.97875 186.4
[M]- 322.97985 186.4
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.