CID 18678986

142347-10-2

Structural Information

Molecular Formula
C7H2F14
SMILES
C(C(C(F)(F)F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F14/c8-1(2(9)4(12,13)14)3(10,11)5(15,16)6(17,18)7(19,20)21/h1-2H
InChIKey
KREMWAXNKLXVED-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,6,7,7,7-tetradecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

351.9933 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00058 161.3
[M+Na]+ 374.98252 170.5
[M-H]- 350.98602 146.3
[M+NH4]+ 370.02712 173.1
[M+K]+ 390.95646 167.6
[M+H-H2O]+ 334.99056 147.2
[M+HCOO]- 396.99150 160.6
[M+CH3COO]- 411.00715 214.1
[M+Na-2H]- 372.96797 161.3
[M]+ 351.99275 139.0
[M]- 351.99385 139.0
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