CID 2736854

32778-09-9

Structural Information

Molecular Formula
C3Cl3F5O
SMILES
C(C(F)(F)F)(OC(F)(F)Cl)(Cl)Cl
InChI
InChI=1S/C3Cl3F5O/c4-1(5,2(7,8)9)12-3(6,10)11
InChIKey
QPYZGZHEKIQPIC-UHFFFAOYSA-N
Compound name
1,1-dichloro-1-[chloro(difluoro)methoxy]-2,2,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

251.8935 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.90078 132.7
[M+Na]+ 274.88272 143.4
[M-H]- 250.88622 126.4
[M+NH4]+ 269.92732 150.9
[M+K]+ 290.85666 138.6
[M+H-H2O]+ 234.89076 127.6
[M+HCOO]- 296.89170 133.4
[M+CH3COO]- 310.90735 189.2
[M+Na-2H]- 272.86817 138.8
[M]+ 251.89295 129.2
[M]- 251.89405 129.2
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