CID 64081527

1339610-81-9

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CN1C2=C(C=C(C=C2)CCl)N(C1=O)C

InChI

InChI=1S/C10H11ClN2O/c1-12-8-4-3-7(6-11)5-9(8)13(2)10(12)14/h3-5H,6H2,1-2H3

InChIKey

JHKSBQYGZMOPOK-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 210.05598 Da
Monoisotopic Mass: 1.8
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]+	211.063256	141.2
[M+Na]+	233.045198	155.3
[M-H]-	209.048704	144.4
[M+NH4]+	228.089803	162.3
[M+K]+	249.019138	150.2
[M+H-H2O]+	193.053240	135.2
[M+HCOO]-	255.054181	160.5
[M+CH3COO]-	269.069831	186.5
[M+Na-2H]-	231.030646	146.9
[M]+	210.05543142	147.6
[M]-	210.05652858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe