CID 139595332

2h-perfluoroheptanoic acid

Structural Information

Molecular Formula
C7H2F12O2
SMILES
C(C(=O)O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F12O2/c8-1(2(20)21)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1H,(H,20,21)
InChIKey
HWFPEKMIHWSKHB-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,7-dodecafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

345.98633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.99361 157.8
[M+Na]+ 368.97555 166.5
[M-H]- 344.97905 143.3
[M+NH4]+ 364.02015 169.2
[M+K]+ 384.94949 164.0
[M+H-H2O]+ 328.98359 145.5
[M+HCOO]- 390.98453 158.3
[M+CH3COO]- 405.00018 209.0
[M+Na-2H]- 366.96100 159.3
[M]+ 345.98578 138.7
[M]- 345.98688 138.7
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.