CID 10894408

142010-49-9

Structural Information

Molecular Formula
C9H4F13NO
SMILES
C(CN=C=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F13NO/c10-4(11,1-2-23-3-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H2
InChIKey
BYGOEEHSQCEGHN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-isocyanatooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

389.00854 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.01582 172.9
[M+Na]+ 411.99776 182.1
[M-H]- 388.00126 160.0
[M+NH4]+ 407.04236 162.1
[M+K]+ 427.97170 178.8
[M+H-H2O]+ 372.00580 159.0
[M+HCOO]- 434.00674 176.6
[M+CH3COO]- 448.02239 222.5
[M+Na-2H]- 409.98321 176.8
[M]+ 389.00799 154.3
[M]- 389.00909 154.3
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