CID 19042596

4'-propyl-4-biphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C15H17BO2
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCC)(O)O
InChI
InChI=1S/C15H17BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11,17-18H,2-3H2,1H3
InChIKey
NOQFUISBLHCDSR-UHFFFAOYSA-N
Compound name
[4-(4-propylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

240.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13944 154.3
[M+Na]+ 263.12138 160.8
[M-H]- 239.12488 158.4
[M+NH4]+ 258.16598 170.6
[M+K]+ 279.09532 156.4
[M+H-H2O]+ 223.12942 147.5
[M+HCOO]- 285.13036 174.6
[M+CH3COO]- 299.14601 189.5
[M+Na-2H]- 261.10683 158.0
[M]+ 240.13161 153.4
[M]- 240.13271 153.4
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