CID 67973113

(2-iodo-5-methoxyphenyl)boronic acid

Structural Information

Molecular Formula
C7H8BIO3
SMILES
B(C1=C(C=CC(=C1)OC)I)(O)O
InChI
InChI=1S/C7H8BIO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
InChIKey
XQYAEIDOJUNIGY-UHFFFAOYSA-N
Compound name
(2-iodo-5-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

504
Patents

277.96112 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96840 145.4
[M+Na]+ 300.95034 146.4
[M-H]- 276.95384 140.0
[M+NH4]+ 295.99494 159.8
[M+K]+ 316.92428 150.7
[M+H-H2O]+ 260.95838 136.6
[M+HCOO]- 322.95932 161.6
[M+CH3COO]- 336.97497 183.5
[M+Na-2H]- 298.93579 137.7
[M]+ 277.96057 143.0
[M]- 277.96167 143.0
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