CID 81719717

1388057-23-5

Structural Information

Molecular Formula
C7H4BrClN2O
SMILES
C1=C2C(=CC(=C1Cl)Br)NC(=O)N2
InChI
InChI=1S/C7H4BrClN2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChIKey
KBTLCMJLOSQEDO-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

245.91956 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.926836 137.9
[M+Na]+ 268.908778 154.6
[M-H]- 244.912284 141.4
[M+NH4]+ 263.953383 159.5
[M+K]+ 284.882718 140.1
[M+H-H2O]+ 228.916820 139.1
[M+HCOO]- 290.917761 153.3
[M+CH3COO]- 304.933411 153.6
[M+Na-2H]- 266.894226 146.2
[M]+ 245.91901142 157.8
[M]- 245.92010858 157.8
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