CID 131492396

1595078-04-8

Structural Information

Molecular Formula
C13H15BBrF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(F)(F)F)Br
InChI
InChI=1S/C13H15BBrF3O2/c1-11(2)12(3,4)20-14(19-11)9-6-5-8(7-10(9)15)13(16,17)18/h5-7H,1-4H3
InChIKey
HIHHJOGYDMGBDN-UHFFFAOYSA-N
Compound name
2-[2-bromo-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.03006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03734 169.0
[M+Na]+ 373.01928 182.8
[M-H]- 349.02278 176.7
[M+NH4]+ 368.06388 189.9
[M+K]+ 388.99322 173.8
[M+H-H2O]+ 333.02732 169.2
[M+HCOO]- 395.02826 183.3
[M+CH3COO]- 409.04391 206.8
[M+Na-2H]- 371.00473 174.4
[M]+ 350.02951 187.3
[M]- 350.03061 187.3
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.