CID 177798975

4-(fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H12FNO2
SMILES
C1CC2(CCC1(N2)CF)C(=O)O
InChI
InChI=1S/C8H12FNO2/c9-5-7-1-3-8(10-7,4-2-7)6(11)12/h10H,1-5H2,(H,11,12)
InChIKey
DSUCQNZBEHLBFE-UHFFFAOYSA-N
Compound name
4-(fluoromethyl)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0852 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.092476 138.0
[M+Na]+ 196.074418 145.5
[M-H]- 172.077924 135.6
[M+NH4]+ 191.119023 164.2
[M+K]+ 212.048358 142.6
[M+H-H2O]+ 156.082460 133.6
[M+HCOO]- 218.083401 153.9
[M+CH3COO]- 232.099051 172.0
[M+Na-2H]- 194.059866 142.4
[M]+ 173.08465142 133.4
[M]- 173.08574858 133.4
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.