CID 133060356

4-iodo-1-methyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C8H7IN2O
SMILES
CN1C2=C(C(=CC=C2)I)NC1=O
InChI
InChI=1S/C8H7IN2O/c1-11-6-4-2-3-5(9)7(6)10-8(11)12/h2-4H,1H3,(H,10,12)
InChIKey
XNXDABJFPRKBSU-UHFFFAOYSA-N
Compound name
7-iodo-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9603 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96758 133.1
[M+Na]+ 296.94952 138.6
[M-H]- 272.95302 128.1
[M+NH4]+ 291.99412 149.1
[M+K]+ 312.92346 140.5
[M+H-H2O]+ 256.95756 123.6
[M+HCOO]- 318.95850 151.2
[M+CH3COO]- 332.97415 143.6
[M+Na-2H]- 294.93497 128.9
[M]+ 273.95975 132.3
[M]- 273.96085 132.3
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

No patent data available for this compound.