CID 17782339

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane

Structural Information

Molecular Formula
C9H7F13
SMILES
CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F13/c1-2-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H2,1H3
InChIKey
INWWPBCQHLHWRD-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
Patents

362.03403 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04131 169.2
[M+Na]+ 385.02325 178.1
[M-H]- 361.02675 155.1
[M+NH4]+ 380.06785 180.8
[M+K]+ 400.99719 174.8
[M+H-H2O]+ 345.03129 155.8
[M+HCOO]- 407.03223 169.0
[M+CH3COO]- 421.04788 216.7
[M+Na-2H]- 383.00870 171.9
[M]+ 362.03348 149.5
[M]- 362.03458 149.5
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