CID 142362461

2227365-42-4

Structural Information

Molecular Formula
C16H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C3(CC3)C#N)F
InChI
InChI=1S/C16H19BFNO2/c1-14(2)15(3,4)21-17(20-14)11-5-6-12(13(18)9-11)16(10-19)7-8-16/h5-6,9H,7-8H2,1-4H3
InChIKey
KMZYGWAXVCIZFQ-UHFFFAOYSA-N
Compound name
1-[2-fluoro-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

0
Patents

287.1493 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15658 149.6
[M+Na]+ 310.13852 168.0
[M-H]- 286.14202 161.2
[M+NH4]+ 305.18312 166.4
[M+K]+ 326.11246 162.3
[M+H-H2O]+ 270.14656 141.3
[M+HCOO]- 332.14750 166.7
[M+CH3COO]- 346.16315 163.8
[M+Na-2H]- 308.12397 156.8
[M]+ 287.14875 151.8
[M]- 287.14985 151.8
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.