CID 12665887

375-89-3

Structural Information

Molecular Formula
C7ClF15
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C7ClF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKey
MAUNZEOOXXBGIT-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

403.9449 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.95218 169.0
[M+Na]+ 426.93412 179.7
[M-H]- 402.93762 154.2
[M+NH4]+ 421.97872 179.5
[M+K]+ 442.90806 174.7
[M+H-H2O]+ 386.94216 155.3
[M+HCOO]- 448.94310 162.6
[M+CH3COO]- 462.95875 220.8
[M+Na-2H]- 424.91957 172.5
[M]+ 403.94435 147.3
[M]- 403.94545 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe