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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.00951	154.5
[M+Na]+	282.99145	168.8
[M+NH4]+	278.03605	161.8
[M+K]+	298.96539	162.9
[M-H]-	258.99495	154.3
[M+Na-2H]-	280.97690	159.0
[M]+	260.00168	157.2
[M]-	260.00278	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe