CID 133634859

2225170-63-6

Structural Information

Molecular Formula
C10H12BClO2
SMILES
B(C1=CC(=C(C=C1Cl)C2CC2)C)(O)O
InChI
InChI=1S/C10H12BClO2/c1-6-4-9(11(13)14)10(12)5-8(6)7-2-3-7/h4-5,7,13-14H,2-3H2,1H3
InChIKey
DVGOFIZBAWEZTL-UHFFFAOYSA-N
Compound name
(2-chloro-4-cyclopropyl-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06189 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06917 135.3
[M+Na]+ 233.05111 145.9
[M-H]- 209.05461 140.8
[M+NH4]+ 228.09571 149.6
[M+K]+ 249.02505 140.6
[M+H-H2O]+ 193.05915 130.7
[M+HCOO]- 255.06009 152.1
[M+CH3COO]- 269.07574 185.5
[M+Na-2H]- 231.03656 139.1
[M]+ 210.06134 138.9
[M]- 210.06244 138.9
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

No patent data available for this compound.