CID 91686273

1360954-62-6

Structural Information

Molecular Formula

C₈H₇BrN₂O

SMILES

COC1=CC2=C(C(=C1)Br)N=CN2

InChI

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

InChIKey

AAESOAJUKHUHAR-UHFFFAOYSA-N

Compound name

4-bromo-6-methoxy-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 225.97418 Da
Monoisotopic Mass: 2.1
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	147.0
[M+NH4]+	244.00800	147.5
[M+K]+	264.93734	148.0
[M-H]-	224.96690	142.2
[M+Na-2H]-	246.94885	145.8
[M]+	225.97363	141.9
[M]-	225.97473	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe