CID 4198751

104116-17-8

Structural Information

Molecular Formula
C11H11BO3
SMILES
B(C1=C(C=CC2=CC=CC=C12)OC)(O)O
InChI
InChI=1S/C11H11BO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7,13-14H,1H3
InChIKey
NHVWTZOWDLOBBS-UHFFFAOYSA-N
Compound name
(2-methoxynaphthalen-1-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

318
Patents

202.08012 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08740 140.0
[M+Na]+ 225.06934 148.2
[M-H]- 201.07284 142.3
[M+NH4]+ 220.11394 159.1
[M+K]+ 241.04328 145.4
[M+H-H2O]+ 185.07738 134.5
[M+HCOO]- 247.07832 160.2
[M+CH3COO]- 261.09397 181.4
[M+Na-2H]- 223.05479 146.6
[M]+ 202.07957 140.5
[M]- 202.08067 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe