CID 562415

35447-99-5

Structural Information

Molecular Formula
C8H8O
SMILES
C1C(C2=CC=CC=C21)O
InChI
InChI=1S/C8H8O/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8-9H,5H2
InChIKey
SKLKSDFOCXHYOO-UHFFFAOYSA-N
Compound name
bicyclo[4.2.0]octa-1,3,5-trien-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

120.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.064796 116.9
[M+Na]+ 143.046738 125.0
[M-H]- 119.050244 120.7
[M+NH4]+ 138.091343 133.7
[M+K]+ 159.020678 125.8
[M+H-H2O]+ 103.054780 107.6
[M+HCOO]- 165.055721 138.8
[M+CH3COO]- 179.071371 172.2
[M+Na-2H]- 141.032186 126.2
[M]+ 120.05697142 125.1
[M]- 120.05806858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe