CID 12060439

377725-13-8

Structural Information

Molecular Formula
C8H13FO2
SMILES
C1CCCC(CC1)(C(=O)O)F
InChI
InChI=1S/C8H13FO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6H2,(H,10,11)
InChIKey
ZFUBXFPAVJZJPZ-UHFFFAOYSA-N
Compound name
1-fluorocycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09723 126.7
[M+Na]+ 183.07917 129.9
[M-H]- 159.08267 128.2
[M+NH4]+ 178.12377 146.7
[M+K]+ 199.05311 132.8
[M+H-H2O]+ 143.08721 122.0
[M+HCOO]- 205.08815 143.7
[M+CH3COO]- 219.10380 175.3
[M+Na-2H]- 181.06462 131.2
[M]+ 160.08940 117.8
[M]- 160.09050 117.8
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.