CID 132143770

2108045-67-4

Structural Information

Molecular Formula
C12H17BrFNO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#CBr)F
InChI
InChI=1S/C12H17BrFNO2/c1-11(2,3)17-10(16)15-8-5-12(14,4-7-13)6-9-15/h5-6,8-9H2,1-3H3
InChIKey
IYTPMCMDBBALBR-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-bromoethynyl)-4-fluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

305.04266 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.04994 157.7
[M+Na]+ 328.03188 169.3
[M-H]- 304.03538 158.5
[M+NH4]+ 323.07648 175.0
[M+K]+ 344.00582 157.5
[M+H-H2O]+ 288.03992 151.6
[M+HCOO]- 350.04086 168.5
[M+CH3COO]- 364.05651 203.4
[M+Na-2H]- 326.01733 161.5
[M]+ 305.04211 166.8
[M]- 305.04321 166.8
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