CID 40875

53758-01-3

Structural Information

Molecular Formula
C15H16FNO
SMILES
CN1C2CCC1[C@@H]3[C@H](C2)C4=C(C3=O)C=C(C=C4)F
InChI
InChI=1S/C15H16FNO/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18/h2,4,6,9,11,13-14H,3,5,7H2,1H3/t9?,11-,13?,14+/m1/s1
InChIKey
HTGKIQJKHBIMTI-ATFQCMOSSA-N
Compound name
(2S,10S)-6-fluoro-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1216 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12888 155.6
[M+Na]+ 268.11082 165.3
[M-H]- 244.11432 158.1
[M+NH4]+ 263.15542 179.5
[M+K]+ 284.08476 159.8
[M+H-H2O]+ 228.11886 149.4
[M+HCOO]- 290.11980 171.0
[M+CH3COO]- 304.13545 167.7
[M+Na-2H]- 266.09627 156.5
[M]+ 245.12105 153.6
[M]- 245.12215 153.6
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.