CID 2733268

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid

Structural Information

Molecular Formula
C8H2F12O4
SMILES
C(=O)(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H2F12O4/c9-3(10,1(21)22)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKey
QYCPVKMFWNBDPV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

736
Patents

389.97614 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.98342 164.1
[M+Na]+ 412.96536 151.4
[M-H]- 388.96886 152.9
[M+NH4]+ 408.00996 153.1
[M+K]+ 428.93930 170.1
[M+H-H2O]+ 372.97340 152.4
[M+HCOO]- 434.97434 161.7
[M+CH3COO]- 448.98999 213.5
[M+Na-2H]- 410.95081 167.1
[M]+ 389.97559 143.8
[M]- 389.97669 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe