CID 86222902

2-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Structural Information

Molecular Formula
C14H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CC#N)Cl
InChI
InChI=1S/C14H17BClNO2/c1-13(2)14(3,4)19-15(18-13)11-6-5-10(7-8-17)12(16)9-11/h5-6,9H,7H2,1-4H3
InChIKey
FZGGSFHILQIOHL-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11138 155.0
[M+Na]+ 300.09332 168.8
[M-H]- 276.09682 162.7
[M+NH4]+ 295.13792 174.1
[M+K]+ 316.06726 163.5
[M+H-H2O]+ 260.10136 144.7
[M+HCOO]- 322.10230 168.6
[M+CH3COO]- 336.11795 208.4
[M+Na-2H]- 298.07877 159.7
[M]+ 277.10355 155.4
[M]- 277.10465 155.4
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

No patent data available for this compound.