CID 97046973

16077-60-4

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=CC2=C(C(=C1)Br)NC=C2C=O
InChI
InChI=1S/C10H8BrNO/c1-6-2-8-7(5-13)4-12-10(8)9(11)3-6/h2-5,12H,1H3
InChIKey
NDPJQPZNSDSHJM-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97893 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 142.5
[M+Na]+ 259.96815 157.4
[M-H]- 235.97165 148.3
[M+NH4]+ 255.01275 165.5
[M+K]+ 275.94209 145.0
[M+H-H2O]+ 219.97619 143.1
[M+HCOO]- 281.97713 164.0
[M+CH3COO]- 295.99278 186.4
[M+Na-2H]- 257.95360 150.0
[M]+ 236.97838 162.8
[M]- 236.97948 162.8
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

No patent data available for this compound.