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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 139.9
[M+Na]+ 260.96340 155.7
[M-H]- 236.96690 145.9
[M+NH4]+ 256.00800 162.3
[M+K]+ 276.93734 144.4
[M+H-H2O]+ 220.97144 139.9
[M+HCOO]- 282.97238 162.1
[M+CH3COO]- 296.98803 188.5
[M+Na-2H]- 258.94885 148.5
[M]+ 237.97363 162.2
[M]- 237.97473 162.2
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