CID 137964115

6,6-difluoro-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol

Structural Information

Molecular Formula
C12H14F2O
SMILES
C1CCC(C(C2=CC=CC=C2C1)O)(F)F
InChI
InChI=1S/C12H14F2O/c13-12(14)8-4-3-6-9-5-1-2-7-10(9)11(12)15/h1-2,5,7,11,15H,3-4,6,8H2
InChIKey
VWCAUBIIMCTGHB-UHFFFAOYSA-N
Compound name
6,6-difluoro-7,8,9,10-tetrahydro-5H-benzo[8]annulen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10127 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10855 157.1
[M+Na]+ 235.09049 162.4
[M-H]- 211.09399 157.6
[M+NH4]+ 230.13509 166.6
[M+K]+ 251.06443 161.5
[M+H-H2O]+ 195.09853 152.9
[M+HCOO]- 257.09947 164.4
[M+CH3COO]- 271.11512 161.5
[M+Na-2H]- 233.07594 157.0
[M]+ 212.10072 154.2
[M]- 212.10182 154.2
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.