CID 22011095

3-(perfluorohexyl)-2-methylpropane

Structural Information

Molecular Formula
C10H9F13
SMILES
CC(C)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F13/c1-4(2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3
InChIKey
WNCBRAVUJRPMCO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

376.04965 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.05693 171.6
[M+Na]+ 399.03887 180.1
[M-H]- 375.04237 157.6
[M+NH4]+ 394.08347 163.3
[M+K]+ 415.01281 177.0
[M+H-H2O]+ 359.04691 158.3
[M+HCOO]- 421.04785 170.4
[M+CH3COO]- 435.06350 220.0
[M+Na-2H]- 397.02432 173.0
[M]+ 376.04910 151.7
[M]- 376.05020 151.7
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