CID 256877

2-fluoro-4-methylpentanoic acid

Structural Information

Molecular Formula
C6H11FO2
SMILES
CC(C)CC(C(=O)O)F
InChI
InChI=1S/C6H11FO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKey
XJSHQHONRQJNKY-UHFFFAOYSA-N
Compound name
2-fluoro-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

134.07431 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.081586 127.1
[M+Na]+ 157.063528 133.6
[M-H]- 133.067034 124.8
[M+NH4]+ 152.108133 148.2
[M+K]+ 173.037468 133.7
[M+H-H2O]+ 117.071570 122.1
[M+HCOO]- 179.072511 146.1
[M+CH3COO]- 193.088161 172.8
[M+Na-2H]- 155.048976 129.3
[M]+ 134.07376142 125.5
[M]- 134.07485858 125.5
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