CID 101035970

Structural Information

Molecular Formula
C8H4F13
SMILES
[CH2]CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey
HCQXIHYJCFSLHP-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

347.01053 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01781 164.4
[M+Na]+ 369.99975 173.7
[M-H]- 346.00325 150.5
[M+NH4]+ 365.04435 176.5
[M+K]+ 385.97369 170.6
[M+H-H2O]+ 330.00779 151.2
[M+HCOO]- 392.00873 164.6
[M+CH3COO]- 406.02438 213.9
[M+Na-2H]- 367.98520 167.6
[M]+ 347.00998 144.3
[M]- 347.01108 144.3
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

No patent data available for this compound.