CID 73553648

7-bromo-6-fluoro-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C10H8BrFO
SMILES
C1CC2=CC(=C(C=C2C(=O)C1)Br)F
InChI
InChI=1S/C10H8BrFO/c11-8-5-7-6(4-9(8)12)2-1-3-10(7)13/h4-5H,1-3H2
InChIKey
BVFQZGABPSFXES-UHFFFAOYSA-N
Compound name
7-bromo-6-fluoro-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.97426 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98154 143.3
[M+Na]+ 264.96348 155.6
[M-H]- 240.96698 149.4
[M+NH4]+ 260.00808 165.8
[M+K]+ 280.93742 144.1
[M+H-H2O]+ 224.97152 143.2
[M+HCOO]- 286.97246 161.5
[M+CH3COO]- 300.98811 189.8
[M+Na-2H]- 262.94893 150.2
[M]+ 241.97371 158.9
[M]- 241.97481 158.9
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