CID 5430

Thiabendazole

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
InChI
InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKey
WJCNZQLZVWNLKY-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

2329
References

90482
Patents

201.03607 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04335 138.9
[M+Na]+ 224.02529 151.6
[M-H]- 200.02879 143.2
[M+NH4]+ 219.06989 159.2
[M+K]+ 239.99923 146.8
[M+H-H2O]+ 184.03333 132.3
[M+HCOO]- 246.03427 157.7
[M+CH3COO]- 260.04992 153.0
[M+Na-2H]- 222.01074 143.0
[M]+ 201.03552 141.6
[M]- 201.03662 141.6
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.