CID 123147899

2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C15H19BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C3CC3)C(F)(F)F
InChI
InChI=1S/C15H19BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-7-11(15(17,18)19)12(20-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3
InChIKey
BALQIHJGEMEHNN-UHFFFAOYSA-N
Compound name
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

313.1461 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15338 161.0
[M+Na]+ 336.13532 172.3
[M-H]- 312.13882 168.3
[M+NH4]+ 331.17992 173.3
[M+K]+ 352.10926 172.0
[M+H-H2O]+ 296.14336 153.4
[M+HCOO]- 358.14430 174.8
[M+CH3COO]- 372.15995 207.4
[M+Na-2H]- 334.12077 165.0
[M]+ 313.14555 163.3
[M]- 313.14665 163.3
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