CID 3478954

32778-08-8

Structural Information

Molecular Formula
C3HCl2F5O
SMILES
C(C(F)(F)F)(OC(F)(F)Cl)Cl
InChI
InChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
InChIKey
TZZWXBLENLGFDD-UHFFFAOYSA-N
Compound name
2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

217.93246 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.93974 126.6
[M+Na]+ 240.92168 137.0
[M-H]- 216.92518 120.8
[M+NH4]+ 235.96628 146.2
[M+K]+ 256.89562 133.3
[M+H-H2O]+ 200.92972 120.7
[M+HCOO]- 262.93066 133.1
[M+CH3COO]- 276.94631 183.9
[M+Na-2H]- 238.90713 131.9
[M]+ 217.93191 123.1
[M]- 217.93301 123.1
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