CID 51000092

173900-46-4

Structural Information

Molecular Formula
C6H6F4O3
SMILES
CC(C(=O)OC(=O)C(C)(F)F)(F)F
InChI
InChI=1S/C6H6F4O3/c1-5(7,8)3(11)13-4(12)6(2,9)10/h1-2H3
InChIKey
XKJXNFVMEATXPN-UHFFFAOYSA-N
Compound name
2,2-difluoropropanoyl 2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

202.0253 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03258 133.2
[M+Na]+ 225.01452 141.7
[M-H]- 201.01802 128.9
[M+NH4]+ 220.05912 152.2
[M+K]+ 240.98846 141.8
[M+H-H2O]+ 185.02256 126.3
[M+HCOO]- 247.02350 148.9
[M+CH3COO]- 261.03915 183.5
[M+Na-2H]- 222.99997 137.4
[M]+ 202.02475 129.9
[M]- 202.02585 129.9
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