CID 2940646

2-[4-(5-bromofuran-2-amido)phenyl]acetic acid

Structural Information

Molecular Formula
C13H10BrNO4
SMILES
C1=CC(=CC=C1CC(=O)O)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C13H10BrNO4/c14-11-6-5-10(19-11)13(18)15-9-3-1-8(2-4-9)7-12(16)17/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKey
GQNZKOPOHUCJOB-UHFFFAOYSA-N
Compound name
2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.9793 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.98658 165.5
[M+Na]+ 345.96852 166.9
[M+NH4]+ 341.01312 168.2
[M+K]+ 361.94246 170.0
[M-H]- 321.97202 167.0
[M+Na-2H]- 343.95397 167.3
[M]+ 322.97875 164.7
[M]- 322.97985 164.7
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

No patent data available for this compound.