CID 93497302

Rac-(1r,2s,4r)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Structural Information

Molecular Formula
C8H9FO2
SMILES
C1[C@H]2C[C@@]([C@@H]1C=C2)(C(=O)O)F
InChI
InChI=1S/C8H9FO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h1-2,5-6H,3-4H2,(H,10,11)/t5-,6+,8+/m0/s1
InChIKey
DWBDWQHKLMQZHK-SHYZEUOFSA-N
Compound name
(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06593 131.5
[M+Na]+ 179.04787 140.4
[M-H]- 155.05137 132.4
[M+NH4]+ 174.09247 158.9
[M+K]+ 195.02181 138.1
[M+H-H2O]+ 139.05591 127.7
[M+HCOO]- 201.05685 151.7
[M+CH3COO]- 215.07250 172.9
[M+Na-2H]- 177.03332 135.8
[M]+ 156.05810 129.6
[M]- 156.05920 129.6
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.