CID 122602635

Mhopflca n=6

Structural Information

Molecular Formula
C9H5F13O3
SMILES
C(C(=O)O)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F13O3/c10-4(11,2-25-1-3(23)24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2,(H,23,24)
InChIKey
DGYHPBHYCWLZNB-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

408.0031 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.010376 174.1
[M+Na]+ 430.992318 157.2
[M-H]- 406.995824 155.9
[M+NH4]+ 426.036923 158.4
[M+K]+ 446.966258 179.9
[M+H-H2O]+ 391.000360 161.0
[M+HCOO]- 453.001301 169.7
[M+CH3COO]- 467.016951 219.1
[M+Na-2H]- 428.977766 176.7
[M]+ 408.00255142 149.6
[M]- 408.00364858 149.6
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