CID 13567958

6-bromo-1h-indole-2-carbaldehyde

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C=C1Br)NC(=C2)C=O
InChI
InChI=1S/C9H6BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-5,11H
InChIKey
IGZHNWFLHSANSN-UHFFFAOYSA-N
Compound name
6-bromo-1H-indole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

222.96329 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.970566 138.1
[M+Na]+ 245.952508 152.7
[M-H]- 221.956014 143.8
[M+NH4]+ 240.997113 161.4
[M+K]+ 261.926448 140.5
[M+H-H2O]+ 205.960550 138.9
[M+HCOO]- 267.961491 160.1
[M+CH3COO]- 281.977141 154.3
[M+Na-2H]- 243.937956 146.9
[M]+ 222.96274142 157.8
[M]- 222.96383858 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe