CID 129957507

7-bromo-5-methyl-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C11H11BrO
SMILES
CC1=CC(=CC2=C1CCCC2=O)Br
InChI
InChI=1S/C11H11BrO/c1-7-5-8(12)6-10-9(7)3-2-4-11(10)13/h5-6H,2-4H2,1H3
InChIKey
XYMHMSDGNPBBLE-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.99933 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00661 143.6
[M+Na]+ 260.98855 155.5
[M-H]- 236.99205 150.9
[M+NH4]+ 256.03315 166.4
[M+K]+ 276.96249 144.3
[M+H-H2O]+ 220.99659 144.3
[M+HCOO]- 282.99753 162.5
[M+CH3COO]- 297.01318 190.1
[M+Na-2H]- 258.97400 150.7
[M]+ 237.99878 160.7
[M]- 237.99988 160.7
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.