CID 81358077

2-fluoro-4,4-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
CC(C)(C)CC(C(=O)O)F
InChI
InChI=1S/C7H13FO2/c1-7(2,3)4-5(8)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKey
DSBGSTZDXUJYSO-UHFFFAOYSA-N
Compound name
2-fluoro-4,4-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.08995 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 130.8
[M+Na]+ 171.07917 137.6
[M-H]- 147.08267 128.6
[M+NH4]+ 166.12377 151.6
[M+K]+ 187.05311 137.5
[M+H-H2O]+ 131.08721 126.3
[M+HCOO]- 193.08815 148.9
[M+CH3COO]- 207.10380 174.6
[M+Na-2H]- 169.06462 134.5
[M]+ 148.08940 129.7
[M]- 148.09050 129.7
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