CID 55276799

7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC2=C(CC1C(=O)O)C=C(C=C2)F
InChI
InChI=1S/C11H11FO2/c12-10-4-3-7-1-2-8(11(13)14)5-9(7)6-10/h3-4,6,8H,1-2,5H2,(H,13,14)
InChIKey
OVTMYVZJYQBKLH-UHFFFAOYSA-N
Compound name
7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.07431 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 138.2
[M+Na]+ 217.06353 145.6
[M-H]- 193.06703 140.0
[M+NH4]+ 212.10813 158.1
[M+K]+ 233.03747 142.4
[M+H-H2O]+ 177.07157 131.9
[M+HCOO]- 239.07251 156.2
[M+CH3COO]- 253.08816 181.9
[M+Na-2H]- 215.04898 143.0
[M]+ 194.07376 134.1
[M]- 194.07486 134.1
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

patents stripe