CID 3021491

Brn 5048473

Structural Information

Molecular Formula
C12H9ClN2OS
SMILES
CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CSC=C3
InChI
InChI=1S/C12H9ClN2OS/c1-14-10-3-2-8(13)6-11(10)15(12(14)16)9-4-5-17-7-9/h2-7H,1H3
InChIKey
BLWVHRFHMJZEOT-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-thiophen-3-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01242 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01970 156.2
[M+Na]+ 287.00164 171.5
[M-H]- 263.00514 163.7
[M+NH4]+ 282.04624 177.5
[M+K]+ 302.97558 165.5
[M+H-H2O]+ 247.00968 150.7
[M+HCOO]- 309.01062 172.4
[M+CH3COO]- 323.02627 170.9
[M+Na-2H]- 284.98709 157.0
[M]+ 264.01187 164.4
[M]- 264.01297 164.4
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.