CID 72221185

2096337-98-1

Structural Information

Molecular Formula
C13H15BF3NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C13H15BF3NO4/c1-11(2)12(3,4)22-14(21-11)9-5-8(13(15,16)17)6-10(7-9)18(19)20/h5-7H,1-4H3
InChIKey
RITSVJLBVKIVBN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-nitro-5-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11188 161.0
[M+Na]+ 340.09382 170.4
[M-H]- 316.09732 166.2
[M+NH4]+ 335.13842 178.4
[M+K]+ 356.06776 166.2
[M+H-H2O]+ 300.10186 159.5
[M+HCOO]- 362.10280 178.4
[M+CH3COO]- 376.11845 199.6
[M+Na-2H]- 338.07927 168.7
[M]+ 317.10405 159.5
[M]- 317.10515 159.5
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.