CID 79964724

2-bromo-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H13BrO
SMILES
C1CC(C2=CC=CC=C2C1)C(=O)CBr
InChI
InChI=1S/C12H13BrO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2
InChIKey
HNIBRNUNIXDCCO-UHFFFAOYSA-N
Compound name
2-bromo-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02226 150.0
[M+Na]+ 275.00420 159.4
[M-H]- 251.00770 156.4
[M+NH4]+ 270.04880 171.6
[M+K]+ 290.97814 148.4
[M+H-H2O]+ 235.01224 150.3
[M+HCOO]- 297.01318 167.7
[M+CH3COO]- 311.02883 191.6
[M+Na-2H]- 272.98965 156.6
[M]+ 252.01443 166.1
[M]- 252.01553 166.1
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.