CID 15338830

2-bromo-1-(2,3-dihydro-1h-inden-2-yl)ethan-1-one

Structural Information

Molecular Formula
C11H11BrO
SMILES
C1C(CC2=CC=CC=C21)C(=O)CBr
InChI
InChI=1S/C11H11BrO/c12-7-11(13)10-5-8-3-1-2-4-9(8)6-10/h1-4,10H,5-7H2
InChIKey
QETZSZNCWLMCSR-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3-dihydro-1H-inden-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

237.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 149.1
[M+Na]+ 260.988548 160.2
[M-H]- 236.992054 156.1
[M+NH4]+ 256.033153 173.1
[M+K]+ 276.962488 149.2
[M+H-H2O]+ 220.996590 149.9
[M+HCOO]- 282.997531 169.2
[M+CH3COO]- 297.013181 188.4
[M+Na-2H]- 258.973996 154.6
[M]+ 237.99878142 166.9
[M]- 237.99987858 166.9
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