CID 14090568

Pentafluorophenyl chloroformate

Structural Information

Molecular Formula
C7ClF5O2
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=O)Cl
InChI
InChI=1S/C7ClF5O2/c8-7(14)15-6-4(12)2(10)1(9)3(11)5(6)13
InChIKey
PQBYMIGEEFVPNG-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

245.9507 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95798 133.7
[M+Na]+ 268.93992 147.6
[M-H]- 244.94342 132.4
[M+NH4]+ 263.98452 152.9
[M+K]+ 284.91386 143.1
[M+H-H2O]+ 228.94796 125.7
[M+HCOO]- 290.94890 148.8
[M+CH3COO]- 304.96455 192.4
[M+Na-2H]- 266.92537 135.3
[M]+ 245.95015 132.5
[M]- 245.95125 132.5
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

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