CID 75176255

6-bromo-1-methylindole-2-carbaldehyde

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CN1C(=CC2=C1C=C(C=C2)Br)C=O
InChI
InChI=1S/C10H8BrNO/c1-12-9(6-13)4-7-2-3-8(11)5-10(7)12/h2-6H,1H3
InChIKey
VJGLQRJZOPPFPO-UHFFFAOYSA-N
Compound name
6-bromo-1-methylindole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 141.5
[M+Na]+ 259.96815 156.9
[M-H]- 235.97165 148.6
[M+NH4]+ 255.01275 165.2
[M+K]+ 275.94209 145.4
[M+H-H2O]+ 219.97619 142.0
[M+HCOO]- 281.97713 164.5
[M+CH3COO]- 295.99278 188.8
[M+Na-2H]- 257.95360 149.5
[M]+ 236.97838 163.6
[M]- 236.97948 163.6
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