CID 2773474

380430-64-8

Structural Information

Molecular Formula
C13H16BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=C=O
InChI
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-5-7-11(8-6-10)15-9-16/h5-8H,1-4H3
InChIKey
RHKRIDVZGAXYQE-UHFFFAOYSA-N
Compound name
2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

245.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12961 149.0
[M+Na]+ 268.11155 158.6
[M-H]- 244.11505 159.2
[M+NH4]+ 263.15615 170.4
[M+K]+ 284.08549 159.1
[M+H-H2O]+ 228.11959 144.2
[M+HCOO]- 290.12053 173.2
[M+CH3COO]- 304.13618 196.2
[M+Na-2H]- 266.09700 156.3
[M]+ 245.12178 153.2
[M]- 245.12288 153.2
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