CID 139594787

Mhpflca n=5

Structural Information

Molecular Formula
C12H12F12O2
SMILES
C(C(F)F)C(CC(CC(CC(CC(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F12O2/c13-6(14)1-8(15,16)2-9(17,18)3-10(19,20)4-11(21,22)5-12(23,24)7(25)26/h6H,1-5H2,(H,25,26)
InChIKey
DRGBCPCUASRQQM-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12-dodecafluorododecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.06458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07186 180.8
[M+Na]+ 439.05380 187.6
[M-H]- 415.05730 164.1
[M+NH4]+ 434.09840 168.4
[M+K]+ 455.02774 184.0
[M+H-H2O]+ 399.06184 167.6
[M+HCOO]- 461.06278 176.5
[M+CH3COO]- 475.07843 223.4
[M+Na-2H]- 437.03925 180.0
[M]+ 416.06403 159.2
[M]- 416.06513 159.2
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

No patent data available for this compound.