CID 22011096

1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane

Structural Information

Molecular Formula
C9H11F9
SMILES
CC(C)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h5H,3-4H2,1-2H3
InChIKey
RMMGYQOEACDUHV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

290.07172 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07900 155.2
[M+Na]+ 313.06094 163.2
[M-H]- 289.06444 144.7
[M+NH4]+ 308.10554 170.4
[M+K]+ 329.03488 160.7
[M+H-H2O]+ 273.06898 144.3
[M+HCOO]- 335.06992 161.2
[M+CH3COO]- 349.08557 204.4
[M+Na-2H]- 311.04639 157.3
[M]+ 290.07117 142.3
[M]- 290.07227 142.3
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