CID 82381693

2-(5-bromo-1h-indol-2-yl)propan-2-ol

Structural Information

Molecular Formula
C11H12BrNO
SMILES
CC(C)(C1=CC2=C(N1)C=CC(=C2)Br)O
InChI
InChI=1S/C11H12BrNO/c1-11(2,14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13-14H,1-2H3
InChIKey
HMKJUYYZVGMCFK-UHFFFAOYSA-N
Compound name
2-(5-bromo-1H-indol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01022 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 151.7
[M+Na]+ 275.999438 165.0
[M-H]- 252.002944 156.0
[M+NH4]+ 271.044043 173.3
[M+K]+ 291.973378 152.4
[M+H-H2O]+ 236.007480 152.7
[M+HCOO]- 298.008421 169.7
[M+CH3COO]- 312.024071 186.8
[M+Na-2H]- 273.984886 159.4
[M]+ 253.00967142 170.4
[M]- 253.01076858 170.4
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

No patent data available for this compound.