CID 13567957

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

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1=CC2=C(C=C1Br)NC(=C2)CO
InChI
InChI=1S/C9H8BrNO/c10-7-2-1-6-3-8(5-12)11-9(6)4-7/h1-4,11-12H,5H2
InChIKey
CNSVVCNALIWZAK-UHFFFAOYSA-N
Compound name
(6-bromo-1H-indol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

224.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 140.3
[M+Na]+ 247.968148 154.1
[M-H]- 223.971654 144.6
[M+NH4]+ 243.012753 162.9
[M+K]+ 263.942088 141.6
[M+H-H2O]+ 207.976190 141.1
[M+HCOO]- 269.977131 160.6
[M+CH3COO]- 283.992781 155.7
[M+Na-2H]- 245.953596 148.6
[M]+ 224.97838142 158.9
[M]- 224.97947858 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

No literature data available for this compound.

Patent stripe

patents stripe