CID 14027072

Schembl2046218

Structural Information

Molecular Formula
C7H5F12O4P
SMILES
C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OP(=O)(O)O
InChI
InChI=1S/C7H5F12O4P/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-23-24(20,21)22/h2H,1H2,(H2,20,21,22)
InChIKey
FCZBGYGUXDMITM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

411.9734 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.98068 153.3
[M+Na]+ 434.96262 157.5
[M-H]- 410.96612 158.3
[M+NH4]+ 430.00722 159.5
[M+K]+ 450.93656 159.5
[M+H-H2O]+ 394.97066 138.4
[M+HCOO]- 456.97160 171.5
[M+CH3COO]- 470.98725 217.3
[M+Na-2H]- 432.94807 148.7
[M]+ 411.97285 149.2
[M]- 411.97395 149.2
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

patents stripe