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]+ 255.037896 154.7
[M+Na]+ 277.019838 165.9
[M-H]- 253.023344 161.8
[M+NH4]+ 272.064443 178.4
[M+K]+ 292.993778 155.2
[M+H-H2O]+ 237.027880 155.4
[M+HCOO]- 299.028821 174.2
[M+CH3COO]- 313.044471 193.0
[M+Na-2H]- 275.005286 159.0
[M]+ 254.03007142 173.7
[M]- 254.03116858 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.