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]+ 242.981536 143.3
[M+Na]+ 264.963478 155.6
[M-H]- 240.966984 149.4
[M+NH4]+ 260.008083 165.8
[M+K]+ 280.937418 144.1
[M+H-H2O]+ 224.971520 143.2
[M+HCOO]- 286.972461 161.5
[M+CH3COO]- 300.988111 189.8
[M+Na-2H]- 262.948926 150.2
[M]+ 241.97371142 158.9
[M]- 241.97480858 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