CID 63771320

5-bromo-1-methyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula

C₉H₇BrN₂O

SMILES

CN1C2=C(C=C(C=C2)Br)N=C1C=O

InChI

InChI=1S/C9H7BrN2O/c1-12-8-3-2-6(10)4-7(8)11-9(12)5-13/h2-5H,1H3

InChIKey

ZAJSAYQLLBKWQQ-UHFFFAOYSA-N

Compound name

5-bromo-1-methylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.97418 Da
Monoisotopic Mass: 2.3
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]+	238.98146	144.8
[M+Na]+	260.96340	149.9
[M+NH4]+	256.00800	149.6
[M+K]+	276.93734	150.6
[M-H]-	236.96690	144.7
[M+Na-2H]-	258.94885	148.1
[M]+	237.97363	144.3
[M]-	237.97473	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe