CID 137964184

2225141-59-1

Structural Information

Molecular Formula
C13H14ClFN2O2
SMILES
CC1CCC2(CN1)C3=C(C=CC(=C3F)Cl)NC(=O)O2
InChI
InChI=1S/C13H14ClFN2O2/c1-7-4-5-13(6-16-7)10-9(17-12(18)19-13)3-2-8(14)11(10)15/h2-3,7,16H,4-6H2,1H3,(H,17,18)
InChIKey
ZTZKUKRMZGBDPM-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-2'-methylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08006 162.1
[M+Na]+ 307.06200 171.1
[M-H]- 283.06550 162.2
[M+NH4]+ 302.10660 176.9
[M+K]+ 323.03594 165.2
[M+H-H2O]+ 267.07004 153.9
[M+HCOO]- 329.07098 167.6
[M+CH3COO]- 343.08663 171.6
[M+Na-2H]- 305.04745 166.1
[M]+ 284.07223 156.2
[M]- 284.07333 156.2
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.