CID 139815778

2-chloroperfluoroheptane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 179.8
[M-H]- 402.93762 154.3
[M+NH4]+ 421.97872 179.7
[M+K]+ 442.90806 174.9
[M+H-H2O]+ 386.94216 155.4
[M+HCOO]- 448.94310 162.7
[M+CH3COO]- 462.95875 220.2
[M+Na-2H]- 424.91957 172.6
[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

No literature data available for this compound.

Patent stripe

patents stripe