CID 18965686

1-(5-bromo-1h-indol-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC(C1=CNC2=C1C=C(C=C2)Br)O
InChI
InChI=1S/C10H10BrNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-6,12-13H,1H3
InChIKey
XFBZKZYXTCXBEL-UHFFFAOYSA-N
Compound name
1-(5-bromo-1H-indol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.99458 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 145.8
[M+Na]+ 261.98380 158.8
[M-H]- 237.98730 150.0
[M+NH4]+ 257.02840 167.7
[M+K]+ 277.95774 146.5
[M+H-H2O]+ 221.99184 146.5
[M+HCOO]- 283.99278 164.8
[M+CH3COO]- 298.00843 160.6
[M+Na-2H]- 259.96925 152.3
[M]+ 238.99403 164.1
[M]- 238.99513 164.1
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