CID 371827

Nsc646343

Structural Information

Molecular Formula
C17H20FNO
SMILES
C1C2CC3(CC1CC(C2)(C3)F)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H20FNO/c18-16-7-12-6-13(8-16)10-17(9-12,11-16)19-15(20)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,19,20)
InChIKey
NPDZQNMQIMSSQA-UHFFFAOYSA-N
Compound name
N-(3-fluoro-1-adamantyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1529 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16018 162.1
[M+Na]+ 296.14212 164.2
[M-H]- 272.14562 159.0
[M+NH4]+ 291.18672 186.2
[M+K]+ 312.11606 159.3
[M+H-H2O]+ 256.15016 152.3
[M+HCOO]- 318.15110 168.5
[M+CH3COO]- 332.16675 169.6
[M+Na-2H]- 294.12757 172.6
[M]+ 273.15235 159.3
[M]- 273.15345 159.3
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.