CID 155859041

2-[3-(difluoromethyl)bicyclo[1.1.1]pentan-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(F)F
InChI
InChI=1S/C12H19BF2O2/c1-9(2)10(3,4)17-13(16-9)12-5-11(6-12,7-12)8(14)15/h8H,5-7H2,1-4H3
InChIKey
DEDWJHZHVRZNHM-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15190 163.2
[M+Na]+ 267.13384 167.8
[M-H]- 243.13734 168.5
[M+NH4]+ 262.17844 170.2
[M+K]+ 283.10778 173.1
[M+H-H2O]+ 227.14188 153.4
[M+HCOO]- 289.14282 171.5
[M+CH3COO]- 303.15847 218.5
[M+Na-2H]- 265.11929 167.6
[M]+ 244.14407 187.5
[M]- 244.14517 187.5
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.