CID 145913257

Tert-butyl 6-(bromomethyl)-6-fluoro-1,4-oxazepane-4-carboxylate

Structural Information

Molecular Formula
C11H19BrFNO3
SMILES
CC(C)(C)OC(=O)N1CCOCC(C1)(CBr)F
InChI
InChI=1S/C11H19BrFNO3/c1-10(2,3)17-9(15)14-4-5-16-8-11(13,6-12)7-14/h4-8H2,1-3H3
InChIKey
RBKUTJMJHBZOCL-UHFFFAOYSA-N
Compound name
tert-butyl 6-(bromomethyl)-6-fluoro-1,4-oxazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.05322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06050 153.5
[M+Na]+ 334.04244 160.7
[M-H]- 310.04594 158.1
[M+NH4]+ 329.08704 170.2
[M+K]+ 350.01638 156.5
[M+H-H2O]+ 294.05048 152.8
[M+HCOO]- 356.05142 165.9
[M+CH3COO]- 370.06707 199.3
[M+Na-2H]- 332.02789 159.3
[M]+ 311.05267 167.5
[M]- 311.05377 167.5
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

No patent data available for this compound.