CID 16211398

142010-50-2

Structural Information

Molecular Formula
C11H4F17NO
SMILES
C(CN=C=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4F17NO/c12-4(13,1-2-29-3-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2
InChIKey
XBIIIDIAZYSZBI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-isocyanatodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

38
Patents

489.00214 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.00942 166.4
[M+Na]+ 511.99136 174.6
[M-H]- 487.99486 174.8
[M+NH4]+ 507.03596 176.6
[M+K]+ 527.96530 181.1
[M+H-H2O]+ 471.99940 156.4
[M+HCOO]- 534.00034 188.1
[M+CH3COO]- 548.01599 239.2
[M+Na-2H]- 509.97681 166.7
[M]+ 489.00159 164.2
[M]- 489.00269 164.2
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

No patent data available for this compound.