CID 81358163

2-cycloheptyl-2-fluoroacetic acid

Structural Information

Molecular Formula
C9H15FO2
SMILES
C1CCCC(CC1)C(C(=O)O)F
InChI
InChI=1S/C9H15FO2/c10-8(9(11)12)7-5-3-1-2-4-6-7/h7-8H,1-6H2,(H,11,12)
InChIKey
QNNUKXSQHFFVFH-UHFFFAOYSA-N
Compound name
2-cycloheptyl-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1056 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11288 130.2
[M+Na]+ 197.09482 131.9
[M-H]- 173.09832 131.3
[M+NH4]+ 192.13942 147.8
[M+K]+ 213.06876 135.4
[M+H-H2O]+ 157.10286 124.9
[M+HCOO]- 219.10380 146.0
[M+CH3COO]- 233.11945 179.4
[M+Na-2H]- 195.08027 132.1
[M]+ 174.10505 120.9
[M]- 174.10615 120.9
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.