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

2328
References

86840
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

literature stripe

Patent stripe

patents stripe