CID 139596869

Dhopflca n=4

Structural Information

Molecular Formula
C9H4F12O3
SMILES
C(C(=O)O)OC(C(C(C(/C(=C/C(F)(F)F)/F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F12O3/c10-3(1-5(11,12)13)6(14,15)7(16,17)8(18,19)9(20,21)24-2-4(22)23/h1H,2H2,(H,22,23)/b3-1-
InChIKey
QYWCHRWWCRENRI-IWQZZHSRSA-N
Compound name
2-[(Z)-1,1,2,2,3,3,4,4,5,7,7,7-dodecafluorohept-5-enoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.9969 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.00418 168.3
[M+Na]+ 410.98612 176.6
[M-H]- 386.98962 153.6
[M+NH4]+ 406.03072 157.7
[M+K]+ 426.96006 173.6
[M+H-H2O]+ 370.99416 155.7
[M+HCOO]- 432.99510 166.7
[M+CH3COO]- 447.01075 214.8
[M+Na-2H]- 408.97157 169.3
[M]+ 387.99635 150.7
[M]- 387.99745 150.7
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.