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

58
Patents

134.07431 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08159 127.1
[M+Na]+ 157.06353 133.6
[M-H]- 133.06703 124.8
[M+NH4]+ 152.10813 148.2
[M+K]+ 173.03747 133.7
[M+H-H2O]+ 117.07157 122.1
[M+HCOO]- 179.07251 146.1
[M+CH3COO]- 193.08816 172.8
[M+Na-2H]- 155.04898 129.3
[M]+ 134.07376 125.5
[M]- 134.07486 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