CID 34382

Trichloroheptafluorobutane

Structural Information

Molecular Formula
C4Cl3F7
SMILES
C(C(C(Cl)(Cl)Cl)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4Cl3F7/c5-3(6,7)1(8,9)2(10,11)4(12,13)14
InChIKey
HCRLMIMQLZJAEG-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2,2,3,3,4,4,4-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

285.8954 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.90268 138.7
[M+Na]+ 308.88462 149.5
[M-H]- 284.88812 130.2
[M+NH4]+ 303.92922 155.4
[M+K]+ 324.85856 143.6
[M+H-H2O]+ 268.89266 131.9
[M+HCOO]- 330.89360 135.5
[M+CH3COO]- 344.90925 195.8
[M+Na-2H]- 306.87007 143.9
[M]+ 285.89485 131.0
[M]- 285.89595 131.0
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