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 165.9
[M+Na]+ 345.96852 175.6
[M-H]- 321.97202 174.6
[M+NH4]+ 341.01312 182.9
[M+K]+ 361.94246 165.6
[M+H-H2O]+ 305.97656 164.6
[M+HCOO]- 367.97750 186.4
[M+CH3COO]- 381.99315 200.7
[M+Na-2H]- 343.95397 169.6
[M]+ 322.97875 185.4
[M]- 322.97985 185.4
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.