CID 2775840

Nonafluoropentanoyl chloride

Structural Information

Molecular Formula
C5ClF9O
SMILES
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C5ClF9O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15
InChIKey
HRBNMYUNLLWPAX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

131
Patents

281.9494 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95668 140.2
[M+Na]+ 304.93862 150.7
[M-H]- 280.94212 130.4
[M+NH4]+ 299.98322 156.3
[M+K]+ 320.91256 146.9
[M+H-H2O]+ 264.94666 130.6
[M+HCOO]- 326.94760 143.8
[M+CH3COO]- 340.96325 197.2
[M+Na-2H]- 302.92407 144.6
[M]+ 281.94885 128.7
[M]- 281.94995 128.7
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