CID 59606738

2-(4,4-difluorochroman-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H19BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OCCC3(F)F
InChI
InChI=1S/C15H19BF2O3/c1-13(2)14(3,4)21-16(20-13)10-5-6-12-11(9-10)15(17,18)7-8-19-12/h5-6,9H,7-8H2,1-4H3
InChIKey
CIMCTJPZDPPQEN-UHFFFAOYSA-N
Compound name
2-(4,4-difluoro-2,3-dihydrochromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

296.13953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14681 160.1
[M+Na]+ 319.12875 170.6
[M-H]- 295.13225 167.7
[M+NH4]+ 314.17335 180.8
[M+K]+ 335.10269 170.8
[M+H-H2O]+ 279.13679 154.0
[M+HCOO]- 341.13773 174.4
[M+CH3COO]- 355.15338 173.0
[M+Na-2H]- 317.11420 166.0
[M]+ 296.13898 160.6
[M]- 296.14008 160.6
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