CID 13567955

5-bromo-2-(hydroxymethyl)indole

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1=CC2=C(C=C1Br)C=C(N2)CO
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-4,11-12H,5H2
InChIKey
ZIUDOZPLPNFTMR-UHFFFAOYSA-N
Compound name
(5-bromo-1H-indol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

224.97893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 140.3
[M+Na]+ 247.96815 154.1
[M-H]- 223.97165 144.6
[M+NH4]+ 243.01275 162.9
[M+K]+ 263.94209 141.6
[M+H-H2O]+ 207.97619 141.1
[M+HCOO]- 269.97713 160.6
[M+CH3COO]- 283.99278 155.7
[M+Na-2H]- 245.95360 148.6
[M]+ 224.97838 158.9
[M]- 224.97948 158.9
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