CID 3719002

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid

Structural Information

Molecular Formula
C14H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)O
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-7-5-10(6-8-11)9-12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKey
FNLWHBHWDXCWHV-UHFFFAOYSA-N
Compound name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14491 154.9
[M+Na]+ 285.12685 163.4
[M-H]- 261.13035 162.3
[M+NH4]+ 280.17145 174.5
[M+K]+ 301.10079 163.6
[M+H-H2O]+ 245.13489 151.0
[M+HCOO]- 307.13583 173.7
[M+CH3COO]- 321.15148 193.8
[M+Na-2H]- 283.11230 159.4
[M]+ 262.13708 158.3
[M]- 262.13818 158.3
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