CID 53414917

(6-bromo-1h-indol-3-yl)methanol

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1=CC2=C(C=C1Br)NC=C2CO
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-4,11-12H,5H2
InChIKey
RCOHYZGYMCGKKS-UHFFFAOYSA-N
Compound name
(6-bromo-1H-indol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

224.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 143.0
[M+Na]+ 247.96815 147.0
[M+NH4]+ 243.01275 148.2
[M+K]+ 263.94209 147.9
[M-H]- 223.97165 143.0
[M+Na-2H]- 245.95360 145.9
[M]+ 224.97838 142.4
[M]- 224.97948 142.4
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