CID 100913436

1637543-22-6

Structural Information

Molecular Formula
C14H17BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CC#N)F
InChI
InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)11-9-10(7-8-17)5-6-12(11)16/h5-6,9H,7H2,1-4H3
InChIKey
XPHLMDUDMYOYHY-UHFFFAOYSA-N
Compound name
2-[4-fluoro-3-(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

19
Patents

261.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14092 149.4
[M+Na]+ 284.12286 162.3
[M-H]- 260.12636 155.8
[M+NH4]+ 279.16746 168.1
[M+K]+ 300.09680 158.6
[M+H-H2O]+ 244.13090 137.5
[M+HCOO]- 306.13184 166.1
[M+CH3COO]- 320.14749 207.5
[M+Na-2H]- 282.10831 154.1
[M]+ 261.13309 146.9
[M]- 261.13419 146.9
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