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 163.9
[M+Na]+ 329.01476 175.2
[M-H]- 305.01826 171.1
[M+NH4]+ 324.05936 183.9
[M+K]+ 344.98870 164.2
[M+H-H2O]+ 289.02280 164.0
[M+HCOO]- 351.02374 181.9
[M+CH3COO]- 365.03939 201.4
[M+Na-2H]- 327.00021 170.8
[M]+ 306.02499 184.7
[M]- 306.02609 184.7
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