CID 3152976

24134-65-4

Structural Information

Molecular Formula
C9H9ClN2O3S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)N(C1=O)C
InChI
InChI=1S/C9H9ClN2O3S/c1-11-7-4-3-6(16(10,14)15)5-8(7)12(2)9(11)13/h3-5H,1-2H3
InChIKey
AAJFTCBEVWPIMK-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-oxobenzimidazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

260.00223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00951 151.5
[M+Na]+ 282.99145 166.6
[M-H]- 258.99495 155.7
[M+NH4]+ 278.03605 171.1
[M+K]+ 298.96539 161.7
[M+H-H2O]+ 242.99949 146.9
[M+HCOO]- 305.00043 165.3
[M+CH3COO]- 319.01608 190.2
[M+Na-2H]- 280.97690 155.6
[M]+ 260.00168 160.8
[M]- 260.00278 160.8
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