CID 66521197

(2-chloro-4-cyclopropylphenyl)boronic acid

Structural Information

Molecular Formula
C9H10BClO2
SMILES
B(C1=C(C=C(C=C1)C2CC2)Cl)(O)O
InChI
InChI=1S/C9H10BClO2/c11-9-5-7(6-1-2-6)3-4-8(9)10(12)13/h3-6,12-13H,1-2H2
InChIKey
GWZYXGCAGCYADT-UHFFFAOYSA-N
Compound name
(2-chloro-4-cyclopropylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

196.04623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05351 131.5
[M+Na]+ 219.03545 141.6
[M-H]- 195.03895 136.8
[M+NH4]+ 214.08005 146.0
[M+K]+ 235.00939 136.6
[M+H-H2O]+ 179.04349 126.8
[M+HCOO]- 241.04443 148.6
[M+CH3COO]- 255.06008 181.5
[M+Na-2H]- 217.02090 136.5
[M]+ 196.04568 134.3
[M]- 196.04678 134.3
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