CID 47002601

5-bromo-1-(propan-2-yloxy)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C12H15BrO
SMILES
CC(C)OC1CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C12H15BrO/c1-8(2)14-12-6-3-9-7-10(13)4-5-11(9)12/h4-5,7-8,12H,3,6H2,1-2H3
InChIKey
AVUQWQCTLHMHME-UHFFFAOYSA-N
Compound name
5-bromo-1-propan-2-yloxy-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.03790 154.7
[M+Na]+ 277.01984 165.9
[M-H]- 253.02334 161.8
[M+NH4]+ 272.06444 178.4
[M+K]+ 292.99378 155.2
[M+H-H2O]+ 237.02788 155.4
[M+HCOO]- 299.02882 174.2
[M+CH3COO]- 313.04447 193.0
[M+Na-2H]- 275.00529 159.0
[M]+ 254.03007 173.7
[M]- 254.03117 173.7
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.