CID 10105130

634602-92-9

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

CC1=CC2=C(C=C1Br)NC(=O)N2

InChI

InChI=1S/C8H7BrN2O/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)

InChIKey

PEHLMUAEDAWZRZ-UHFFFAOYSA-N

Compound name

5-bromo-6-methyl-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 225.97418 Da
Monoisotopic Mass: 1.6
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]+	226.98146	142.6
[M+Na]+	248.96340	146.9
[M+NH4]+	244.00800	146.9
[M+K]+	264.93734	148.3
[M-H]-	224.96690	141.6
[M+Na-2H]-	246.94885	144.9
[M]+	225.97363	141.6
[M]-	225.97473	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe