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]+ 161.097226 126.7
[M+Na]+ 183.079168 129.9
[M-H]- 159.082674 128.2
[M+NH4]+ 178.123773 146.7
[M+K]+ 199.053108 132.8
[M+H-H2O]+ 143.087210 122.0
[M+HCOO]- 205.088151 143.7
[M+CH3COO]- 219.103801 175.3
[M+Na-2H]- 181.064616 131.2
[M]+ 160.08940142 117.8
[M]- 160.09049858 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.