CID 13431

3-fluoroadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15FO2
SMILES
C1C2CC3(CC1CC(C2)(C3)F)C(=O)O
InChI
InChI=1S/C11H15FO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey
SJULXDNAWKQQEV-UHFFFAOYSA-N
Compound name
3-fluoroadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

198.1056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.11288 147.1
[M+Na]+ 221.09482 150.8
[M-H]- 197.09832 140.4
[M+NH4]+ 216.13942 174.3
[M+K]+ 237.06876 147.3
[M+H-H2O]+ 181.10286 140.8
[M+HCOO]- 243.10380 151.7
[M+CH3COO]- 257.11945 155.8
[M+Na-2H]- 219.08027 157.6
[M]+ 198.10505 145.3
[M]- 198.10615 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe