CID 74789504

2152645-00-4

Structural Information

Molecular Formula
C12H21BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCC(CC2)(F)F
InChI
InChI=1S/C12H21BF2O2/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9/h9H,5-8H2,1-4H3
InChIKey
PSISDAHBTZUUKR-UHFFFAOYSA-N
Compound name
2-(4,4-difluorocyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.16026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16754 147.9
[M+Na]+ 269.14948 155.9
[M-H]- 245.15298 153.4
[M+NH4]+ 264.19408 170.7
[M+K]+ 285.12342 156.3
[M+H-H2O]+ 229.15752 143.0
[M+HCOO]- 291.15846 162.8
[M+CH3COO]- 305.17411 192.4
[M+Na-2H]- 267.13493 152.2
[M]+ 246.15971 144.6
[M]- 246.16081 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe