CID 13567955

(5-bromo-1h-indol-2-yl)methanol

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

36
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 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

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Patent stripe

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