CID 163706746

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

Structural Information

Molecular Formula
C12H16BClFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)F)N
InChI
InChI=1S/C12H16BClFNO2/c1-11(2)12(3,4)18-13(17-11)7-5-10(16)9(15)6-8(7)14/h5-6H,16H2,1-4H3
InChIKey
KFSKLQROTQMCKI-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-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

8
Patents

271.09467 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10195 154.3
[M+Na]+ 294.08389 165.9
[M-H]- 270.08739 161.8
[M+NH4]+ 289.12849 175.2
[M+K]+ 310.05783 163.5
[M+H-H2O]+ 254.09193 150.2
[M+HCOO]- 316.09287 170.3
[M+CH3COO]- 330.10852 199.1
[M+Na-2H]- 292.06934 158.0
[M]+ 271.09412 157.0
[M]- 271.09522 157.0
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