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

346
Patents

262.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.144906 154.9
[M+Na]+ 285.126848 163.4
[M-H]- 261.130354 162.3
[M+NH4]+ 280.171453 174.5
[M+K]+ 301.100788 163.6
[M+H-H2O]+ 245.134890 151.0
[M+HCOO]- 307.135831 173.7
[M+CH3COO]- 321.151481 193.8
[M+Na-2H]- 283.112296 159.4
[M]+ 262.13708142 158.3
[M]- 262.13817858 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