CID 11106814

70057-85-1

Structural Information

Molecular Formula

C₁₀H₇N₃OS

SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN=C(S3)N

InChI

InChI=1S/C10H7N3OS/c11-10-13-12-9(15-10)8-5-6-3-1-2-4-7(6)14-8/h1-5H,(H2,11,13)

InChIKey

DWSXZOOSYNFWAV-UHFFFAOYSA-N

Compound name

5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.03099 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.038266	141.5
[M+Na]+	240.020208	154.5
[M-H]-	216.023714	148.9
[M+NH4]+	235.064813	161.5
[M+K]+	255.994148	151.5
[M+H-H2O]+	200.028250	135.6
[M+HCOO]-	262.029191	162.8
[M+CH3COO]-	276.044841	156.5
[M+Na-2H]-	238.005656	146.0
[M]+	217.03044142	146.1
[M]-	217.03153858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe