CID 22346775

262444-42-8

Structural Information

Molecular Formula
C17H25BFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)OC(C)(C)C)F
InChI
InChI=1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-13-9-8-11(10-12(13)19)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
InChIKey
KETIHPKFQXFMTA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-fluoro-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

91
Patents

337.18607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19335 173.9
[M+Na]+ 360.17529 182.1
[M-H]- 336.17879 181.3
[M+NH4]+ 355.21989 191.3
[M+K]+ 376.14923 182.8
[M+H-H2O]+ 320.18333 169.1
[M+HCOO]- 382.18427 191.6
[M+CH3COO]- 396.19992 212.7
[M+Na-2H]- 358.16074 178.0
[M]+ 337.18552 178.0
[M]- 337.18662 178.0
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