CID 84819133

1148113-74-9

Structural Information

Molecular Formula
C9H16BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC(F)(F)F
InChI
InChI=1S/C9H16BF3O2/c1-7(2)8(3,4)15-10(14-7)6-5-9(11,12)13/h5-6H2,1-4H3
InChIKey
CJNRCUGZVKIWMF-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3,3,3-trifluoropropyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.11954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12682 140.3
[M+Na]+ 247.10876 149.6
[M-H]- 223.11226 141.7
[M+NH4]+ 242.15336 162.3
[M+K]+ 263.08270 150.7
[M+H-H2O]+ 207.11680 135.8
[M+HCOO]- 269.11774 156.3
[M+CH3COO]- 283.13339 188.3
[M+Na-2H]- 245.09421 146.9
[M]+ 224.11899 139.8
[M]- 224.12009 139.8
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