CID 3088263

6,7,8,9-tetrahydro-alpha-(4-chlorophenyl)naphtho(2,1-b)furan-2-methanol

Structural Information

Molecular Formula
C19H17ClO2
SMILES
C1CCC2=C(C1)C=CC3=C2C=C(O3)C(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C19H17ClO2/c20-14-8-5-13(6-9-14)19(21)18-11-16-15-4-2-1-3-12(15)7-10-17(16)22-18/h5-11,19,21H,1-4H2
InChIKey
VSVANTFYKKOWRE-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(6,7,8,9-tetrahydrobenzo[e][1]benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0917 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09898 170.9
[M+Na]+ 335.08092 180.0
[M-H]- 311.08442 178.8
[M+NH4]+ 330.12552 188.3
[M+K]+ 351.05486 174.1
[M+H-H2O]+ 295.08896 164.6
[M+HCOO]- 357.08990 184.8
[M+CH3COO]- 371.10555 182.6
[M+Na-2H]- 333.06637 174.7
[M]+ 312.09115 173.2
[M]- 312.09225 173.2
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.