CID 157434792

Bqyxxpggopnkmo-uhfffaoysa-n

Structural Information

Molecular Formula
C12H10F18NO2P
SMILES
CN(CCOC)P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F18NO2P/c1-31(3-4-33-2)34(32,11(27,28)7(17,18)5(13,14)9(21,22)23)12(29,30)8(19,20)6(15,16)10(24,25)26/h3-4H2,1-2H3
InChIKey
BQYXXPGGOPNKMO-UHFFFAOYSA-N
Compound name
N-[bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphoryl]-2-methoxy-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

573.0162 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.02348 190.2
[M+Na]+ 596.00542 196.6
[M-H]- 572.00892 200.9
[M+NH4]+ 591.05002 203.2
[M+K]+ 611.97936 204.7
[M+H-H2O]+ 556.01346 173.8
[M+HCOO]- 618.01440 209.1
[M+CH3COO]- 632.03005 252.9
[M+Na-2H]- 593.99087 187.2
[M]+ 573.01565 186.7
[M]- 573.01675 186.7
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.