CID 58050102

1213768-48-9

Structural Information

Molecular Formula
C15H14BBrO2
SMILES
B(C1=CC2=C(C=C1)C3=C(C2(C)C)C=C(C=C3)Br)(O)O
InChI
InChI=1S/C15H14BBrO2/c1-15(2)13-7-9(16(18)19)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8,18-19H,1-2H3
InChIKey
CYZUULREWZKGJP-UHFFFAOYSA-N
Compound name
(7-bromo-9,9-dimethylfluoren-2-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

316.027 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.03428 167.4
[M+Na]+ 339.01622 180.4
[M-H]- 315.01972 173.8
[M+NH4]+ 334.06082 190.6
[M+K]+ 354.99016 167.8
[M+H-H2O]+ 299.02426 168.8
[M+HCOO]- 361.02520 184.1
[M+CH3COO]- 375.04085 181.3
[M+Na-2H]- 337.00167 172.4
[M]+ 316.02645 187.0
[M]- 316.02755 187.0
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