CID 12521010

Difluoro(trifluoromethoxy)acetyl fluoride

Structural Information

Molecular Formula
C3F6O2
SMILES
C(=O)(C(OC(F)(F)F)(F)F)F
InChI
InChI=1S/C3F6O2/c4-1(10)2(5,6)11-3(7,8)9
InChIKey
MSKOCYDZUWGKKM-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(trifluoromethoxy)acetyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.98026 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.987536 123.9
[M+Na]+ 204.969478 133.6
[M-H]- 180.972984 117.2
[M+NH4]+ 200.014083 143.5
[M+K]+ 220.943418 133.2
[M+H-H2O]+ 164.977520 115.5
[M+HCOO]- 226.978461 138.9
[M+CH3COO]- 240.994111 179.3
[M+Na-2H]- 202.954926 129.4
[M]+ 181.97971142 116.7
[M]- 181.98080858 116.7
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