CID 75096

2160-89-6

Structural Information

Molecular Formula
C6H4F6O2
SMILES
C=CC(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2
InChIKey
MNSWITGNWZSAMC-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

2911
Patents

222.01155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01883 136.3
[M+Na]+ 245.00077 145.0
[M-H]- 221.00427 129.3
[M+NH4]+ 240.04537 154.4
[M+K]+ 260.97471 143.7
[M+H-H2O]+ 205.00881 127.6
[M+HCOO]- 267.00975 149.6
[M+CH3COO]- 281.02540 186.7
[M+Na-2H]- 242.98622 139.1
[M]+ 222.01100 128.7
[M]- 222.01210 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