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]+ 254.01750 151.7
[M+Na]+ 275.99944 165.0
[M-H]- 252.00294 156.0
[M+NH4]+ 271.04404 173.3
[M+K]+ 291.97338 152.4
[M+H-H2O]+ 236.00748 152.7
[M+HCOO]- 298.00842 169.7
[M+CH3COO]- 312.02407 186.8
[M+Na-2H]- 273.98489 159.4
[M]+ 253.00967 170.4
[M]- 253.01077 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.