CID 9877

2-chloro-1,1,2-trifluoroethyl methyl ether

Structural Information

Molecular Formula
C3H4ClF3O
SMILES
COC(C(F)Cl)(F)F
InChI
InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3
InChIKey
KKXBMWAROXAWSZ-UHFFFAOYSA-N
Compound name
2-chloro-1,1,2-trifluoro-1-methoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

87
Patents

147.99028 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99756 118.8
[M+Na]+ 170.97950 128.4
[M-H]- 146.98300 115.8
[M+NH4]+ 166.02410 141.1
[M+K]+ 186.95344 126.8
[M+H-H2O]+ 130.98754 113.7
[M+HCOO]- 192.98848 133.7
[M+CH3COO]- 207.00413 173.6
[M+Na-2H]- 168.96495 125.0
[M]+ 147.98973 117.4
[M]- 147.99083 117.4
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