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

51
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

literature stripe

Patent stripe

patents stripe