CID 371824

3-fluoro-1-adamantanecarboxamide

Structural Information

Molecular Formula
C11H16FNO
SMILES
C1C2CC3(CC1CC(C2)(C3)F)C(=O)N
InChI
InChI=1S/C11H16FNO/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H2,13,14)
InChIKey
FDBCIAOKTXUPKU-UHFFFAOYSA-N
Compound name
3-fluoroadamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.1216 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12888 146.6
[M+Na]+ 220.11082 150.0
[M-H]- 196.11432 140.5
[M+NH4]+ 215.15542 174.0
[M+K]+ 236.08476 146.5
[M+H-H2O]+ 180.11886 139.9
[M+HCOO]- 242.11980 152.8
[M+CH3COO]- 256.13545 155.3
[M+Na-2H]- 218.09627 156.9
[M]+ 197.12105 143.5
[M]- 197.12215 143.5
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.