CID 59736976

2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe