CID 68293656

1395084-16-8

Structural Information

Molecular Formula
C9H12BClO2
SMILES
B(C1=C(C=C(C=C1)Cl)C(C)C)(O)O
InChI
InChI=1S/C9H12BClO2/c1-6(2)8-5-7(11)3-4-9(8)10(12)13/h3-6,12-13H,1-2H3
InChIKey
JYNSZJKOGVAOMZ-UHFFFAOYSA-N
Compound name
(4-chloro-2-propan-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

198.06189 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06917 138.4
[M+Na]+ 221.05111 146.7
[M-H]- 197.05461 139.8
[M+NH4]+ 216.09571 157.7
[M+K]+ 237.02505 142.9
[M+H-H2O]+ 181.05915 134.6
[M+HCOO]- 243.06009 153.7
[M+CH3COO]- 257.07574 180.5
[M+Na-2H]- 219.03656 141.1
[M]+ 198.06134 139.3
[M]- 198.06244 139.3
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