CID 3022380

Brn 4712542

Structural Information

Molecular Formula
C13H9ClN4O3
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=NN(N=N3)CC(=O)O)Cl
InChI
InChI=1S/C13H9ClN4O3/c14-9-3-1-8(2-4-9)10-5-6-11(21-10)13-15-17-18(16-13)7-12(19)20/h1-6H,7H2,(H,19,20)
InChIKey
UZODUYACHSOGGU-UHFFFAOYSA-N
Compound name
2-[5-[5-(4-chlorophenyl)furan-2-yl]tetrazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04360 163.2
[M+Na]+ 327.02554 178.3
[M+NH4]+ 322.07014 169.0
[M+K]+ 342.99948 176.8
[M-H]- 303.02904 166.3
[M+Na-2H]- 325.01099 171.1
[M]+ 304.03577 166.4
[M]- 304.03687 166.4
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.