CID 3658100

2-(6-bromo-2-naphthoxy)tetrahydropyran

Structural Information

Molecular Formula
C15H15BrO2
SMILES
C1CCOC(C1)OC2=CC3=C(C=C2)C=C(C=C3)Br
InChI
InChI=1S/C15H15BrO2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-15-3-1-2-8-17-15/h4-7,9-10,15H,1-3,8H2
InChIKey
HQVYJZNFRLOZIB-UHFFFAOYSA-N
Compound name
2-(6-bromonaphthalen-2-yl)oxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

306.02554 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03282 163.8
[M+Na]+ 329.01476 172.7
[M-H]- 305.01826 173.5
[M+NH4]+ 324.05936 181.8
[M+K]+ 344.98870 163.0
[M+H-H2O]+ 289.02280 162.8
[M+HCOO]- 351.02374 180.4
[M+CH3COO]- 365.03939 177.0
[M+Na-2H]- 327.00021 171.1
[M]+ 306.02499 180.5
[M]- 306.02609 180.5
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

patents stripe