CID 16217914

833486-94-5

Structural Information

Molecular Formula
C12H17BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3
InChIKey
QOYJKGGBFKVKDP-UHFFFAOYSA-N
Compound name
2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

264.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13542 154.5
[M+Na]+ 287.11736 162.6
[M-H]- 263.12086 163.0
[M+NH4]+ 282.16196 173.4
[M+K]+ 303.09130 158.9
[M+H-H2O]+ 247.12540 154.6
[M+HCOO]- 309.12634 177.1
[M+CH3COO]- 323.14199 192.9
[M+Na-2H]- 285.10281 162.1
[M]+ 264.12759 154.8
[M]- 264.12869 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe