CID 93497302

34080-81-4

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]+ 157.065926 131.5
[M+Na]+ 179.047868 140.4
[M-H]- 155.051374 132.4
[M+NH4]+ 174.092473 158.9
[M+K]+ 195.021808 138.1
[M+H-H2O]+ 139.055910 127.7
[M+HCOO]- 201.056851 151.7
[M+CH3COO]- 215.072501 172.9
[M+Na-2H]- 177.033316 135.8
[M]+ 156.05810142 129.6
[M]- 156.05919858 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.