CID 24834851

5,6-dichloro-1-methyl-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C8H6Cl2N2O
SMILES
CN1C2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2N2O/c1-12-7-3-5(10)4(9)2-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)
InChIKey
DSAGNUWLILOLPG-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-methyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.98572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.99300 138.8
[M+Na]+ 238.97494 153.5
[M-H]- 214.97844 140.1
[M+NH4]+ 234.01954 159.2
[M+K]+ 254.94888 146.8
[M+H-H2O]+ 198.98298 133.9
[M+HCOO]- 260.98392 152.0
[M+CH3COO]- 274.99957 152.9
[M+Na-2H]- 236.96039 144.3
[M]+ 215.98517 143.5
[M]- 215.98627 143.5
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