CID 120560

2,2-bis(trifluoromethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C5H4F6O2
SMILES
C1COC(O1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C5H4F6O2/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h1-2H2
InChIKey
PQNNUQKDERZMPQ-UHFFFAOYSA-N
Compound name
2,2-bis(trifluoromethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

785
Patents

210.01155 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01883 131.3
[M+Na]+ 233.00077 140.4
[M-H]- 209.00427 128.7
[M+NH4]+ 228.04537 150.9
[M+K]+ 248.97471 141.6
[M+H-H2O]+ 193.00881 123.6
[M+HCOO]- 255.00975 144.1
[M+CH3COO]- 269.02540 180.5
[M+Na-2H]- 230.98622 139.0
[M]+ 210.01100 123.2
[M]- 210.01210 123.2
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