CID 139022838

2344680-93-7

Structural Information

Molecular Formula
C11H9BrF2O
SMILES
C1CC2=C(C=C(C=C2)Br)C3(C1C3(F)F)O
InChI
InChI=1S/C11H9BrF2O/c12-7-3-1-6-2-4-9-10(15,8(6)5-7)11(9,13)14/h1,3,5,9,15H,2,4H2
InChIKey
LETFMLLTNPPFFE-UHFFFAOYSA-N
Compound name
6-bromo-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98047 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98775 152.1
[M+Na]+ 296.96969 167.4
[M-H]- 272.97319 157.8
[M+NH4]+ 292.01429 172.7
[M+K]+ 312.94363 155.7
[M+H-H2O]+ 256.97773 152.2
[M+HCOO]- 318.97867 166.7
[M+CH3COO]- 332.99432 166.1
[M+Na-2H]- 294.95514 160.7
[M]+ 273.97992 169.8
[M]- 273.98102 169.8
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.