CID 15122975

(1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidene)cyclopentane

Structural Information

Molecular Formula
C12H8F10
SMILES
C1CCC(=C(C#CC(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F)C1
InChI
InChI=1S/C12H8F10/c13-9(14,11(18,19)12(20,21)22)6-5-8(10(15,16)17)7-3-1-2-4-7/h1-4H2
InChIKey
MMHLDEGBUZDZPA-UHFFFAOYSA-N
Compound name
1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.04663 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.05391 161.1
[M+Na]+ 365.03585 169.1
[M-H]- 341.03935 151.3
[M+NH4]+ 360.08045 173.4
[M+K]+ 381.00979 164.3
[M+H-H2O]+ 325.04389 143.7
[M+HCOO]- 387.04483 161.6
[M+CH3COO]- 401.06048 212.2
[M+Na-2H]- 363.02130 159.8
[M]+ 342.04608 138.7
[M]- 342.04718 138.7
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

No patent data available for this compound.