CID 165987844

5-bromo-2,2-difluoro-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C10H7BrF2O
SMILES
C1CC(C(=O)C2=C1C(=CC=C2)Br)(F)F
InChI
InChI=1S/C10H7BrF2O/c11-8-3-1-2-7-6(8)4-5-10(12,13)9(7)14/h1-3H,4-5H2
InChIKey
WCGDLOBQZYZZJK-UHFFFAOYSA-N
Compound name
5-bromo-2,2-difluoro-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.96484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97212 146.1
[M+Na]+ 282.95406 159.4
[M-H]- 258.95756 151.3
[M+NH4]+ 277.99866 169.8
[M+K]+ 298.92800 147.7
[M+H-H2O]+ 242.96210 145.8
[M+HCOO]- 304.96304 163.4
[M+CH3COO]- 318.97869 191.9
[M+Na-2H]- 280.93951 153.4
[M]+ 259.96429 161.1
[M]- 259.96539 161.1
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.