CID 10725529

2,2-difluorohexanoic acid

Structural Information

Molecular Formula
C6H10F2O2
SMILES
CCCCC(C(=O)O)(F)F
InChI
InChI=1S/C6H10F2O2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
PKXVNCYLUCOREQ-UHFFFAOYSA-N
Compound name
2,2-difluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

152.06488 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07216 128.8
[M+Na]+ 175.05410 136.2
[M-H]- 151.05760 125.3
[M+NH4]+ 170.09870 149.3
[M+K]+ 191.02804 135.4
[M+H-H2O]+ 135.06214 123.3
[M+HCOO]- 197.06308 147.2
[M+CH3COO]- 211.07873 174.1
[M+Na-2H]- 173.03955 133.7
[M]+ 152.06433 126.8
[M]- 152.06543 126.8
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