CID 139034210

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

Structural Information

Molecular Formula
C12H16BF2NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)N)F)F
InChI
InChI=1S/C12H16BF2NO2/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(16)10(15)9(7)14/h5-6H,16H2,1-4H3
InChIKey
ZTABKJJZRZFSTI-UHFFFAOYSA-N
Compound name
2,3-difluoro-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

15
Patents

255.12422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13150 150.3
[M+Na]+ 278.11344 161.4
[M-H]- 254.11694 156.7
[M+NH4]+ 273.15804 171.0
[M+K]+ 294.08738 160.4
[M+H-H2O]+ 238.12148 144.6
[M+HCOO]- 300.12242 169.8
[M+CH3COO]- 314.13807 198.1
[M+Na-2H]- 276.09889 154.0
[M]+ 255.12367 150.0
[M]- 255.12477 150.0
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