CID 165917773

1672682-60-8

Structural Information

Molecular Formula
C15H19BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)C3(CC3)C(F)(F)F
InChI
InChI=1S/C15H19BF3NO2/c1-12(2)13(3,4)22-16(21-12)10-5-6-11(20-9-10)14(7-8-14)15(17,18)19/h5-6,9H,7-8H2,1-4H3
InChIKey
VKPSPQDIFKEPBR-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[1-(trifluoromethyl)cyclopropyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1461 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15338 159.3
[M+Na]+ 336.13532 170.5
[M-H]- 312.13882 166.6
[M+NH4]+ 331.17992 173.2
[M+K]+ 352.10926 171.4
[M+H-H2O]+ 296.14336 152.4
[M+HCOO]- 358.14430 172.9
[M+CH3COO]- 372.15995 206.1
[M+Na-2H]- 334.12077 165.2
[M]+ 313.14555 161.8
[M]- 313.14665 161.8
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.