CID 16740773

124340-77-8

Structural Information

Molecular Formula
C12H8N2O2S
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=CS3)C(=O)O
InChI
InChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKey
OQFMKFSAZCQYAK-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

244.03065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03793 151.3
[M+Na]+ 267.01987 162.8
[M-H]- 243.02337 155.8
[M+NH4]+ 262.06447 170.4
[M+K]+ 282.99381 157.7
[M+H-H2O]+ 227.02791 145.7
[M+HCOO]- 289.02885 168.6
[M+CH3COO]- 303.04450 164.4
[M+Na-2H]- 265.00532 152.8
[M]+ 244.03010 154.3
[M]- 244.03120 154.3
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

patents stripe