CID 26967602

Tert-butyl 4-bromo-1-naphthoate

Structural Information

Molecular Formula
C15H15BrO2
SMILES
CC(C)(C)OC(=O)C1=CC=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C15H15BrO2/c1-15(2,3)18-14(17)12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKey
JCSZXGTXRLOCHN-UHFFFAOYSA-N
Compound name
tert-butyl 4-bromonaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 158.0
[M+Na]+ 329.01476 162.2
[M+NH4]+ 324.05936 163.0
[M+K]+ 344.98870 161.8
[M-H]- 305.01826 158.8
[M+Na-2H]- 327.00021 161.6
[M]+ 306.02499 157.8
[M]- 306.02609 157.8
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

patents stripe