CID 53423523

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C16H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C#N
InChI
InChI=1S/C16H20BNO2/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8H,9-10H2,1-4H3
InChIKey
LQTZQARAJYGKBH-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

269.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16600 150.3
[M+Na]+ 292.14794 168.1
[M-H]- 268.15144 162.9
[M+NH4]+ 287.19254 167.5
[M+K]+ 308.12188 162.7
[M+H-H2O]+ 252.15598 142.6
[M+HCOO]- 314.15692 168.3
[M+CH3COO]- 328.17257 164.6
[M+Na-2H]- 290.13339 158.2
[M]+ 269.15817 153.0
[M]- 269.15927 153.0
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