CID 18924173

2-fluoro-2,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H11FO2
SMILES
CC(C)C(C)(C(=O)O)F
InChI
InChI=1S/C6H11FO2/c1-4(2)6(3,7)5(8)9/h4H,1-3H3,(H,8,9)
InChIKey
NWNBLXQSMQHLIE-UHFFFAOYSA-N
Compound name
2-fluoro-2,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

134.07431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.081586 125.8
[M+Na]+ 157.063528 133.0
[M-H]- 133.067034 123.8
[M+NH4]+ 152.108133 147.1
[M+K]+ 173.037468 133.1
[M+H-H2O]+ 117.071570 121.5
[M+HCOO]- 179.072511 144.3
[M+CH3COO]- 193.088161 172.2
[M+Na-2H]- 155.048976 130.1
[M]+ 134.07376142 124.4
[M]- 134.07485858 124.4
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