CID 165981515

En300-37384679

Structural Information

Molecular Formula
C16H19BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCC(C(=O)C3=CC=C2)(F)F
InChI
InChI=1S/C16H19BF2O3/c1-14(2)15(3,4)22-17(21-14)12-7-5-6-11-10(12)8-9-16(18,19)13(11)20/h5-7H,8-9H2,1-4H3
InChIKey
ANGSHSMTXUCHID-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.13953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14681 162.1
[M+Na]+ 331.12875 173.2
[M-H]- 307.13225 169.3
[M+NH4]+ 326.17335 183.9
[M+K]+ 347.10269 171.7
[M+H-H2O]+ 291.13679 156.0
[M+HCOO]- 353.13773 177.2
[M+CH3COO]- 367.15338 205.2
[M+Na-2H]- 329.11420 166.4
[M]+ 308.13898 162.1
[M]- 308.14008 162.1
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.