CID 22346934

330794-05-3

Structural Information

Molecular Formula
C18H27BFNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C18H27BFNO5/c1-16(2,3)24-15(22)21-13-10-12(20)11(9-14(13)23-8)19-25-17(4,5)18(6,7)26-19/h9-10H,1-8H3,(H,21,22)
InChIKey
NSJWIVJGGRSVRN-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-fluoro-2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

367.19662 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20390 180.1
[M+Na]+ 390.18584 188.5
[M-H]- 366.18934 187.7
[M+NH4]+ 385.23044 196.5
[M+K]+ 406.15978 189.8
[M+H-H2O]+ 350.19388 175.4
[M+HCOO]- 412.19482 197.6
[M+CH3COO]- 426.21047 219.2
[M+Na-2H]- 388.17129 183.5
[M]+ 367.19607 186.4
[M]- 367.19717 186.4
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