CID 59635470

913297-44-6

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

CN1C2=C(C=CC=C2Br)NC1=O

InChI

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

InChIKey

RTGYXYYWJABYDE-UHFFFAOYSA-N

Compound name

4-bromo-3-methyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
Patents: 225.97418 Da
Monoisotopic Mass: 1.4
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	141.6
[M+Na]+	248.96340	146.3
[M+NH4]+	244.00800	146.2
[M+K]+	264.93734	147.5
[M-H]-	224.96690	141.1
[M+Na-2H]-	246.94885	144.5
[M]+	225.97363	140.9
[M]-	225.97473	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe