CID 9868

1,1,1-trifluoroethane

Structural Information

Molecular Formula
C2H3F3
SMILES
CC(F)(F)F
InChI
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
InChIKey
UJPMYEOUBPIPHQ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

36
References

90478
Patents

84.018684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.025960 106.8
[M+Na]+ 107.007902 116.2
[M-H]- 83.011408 104.0
[M+NH4]+ 102.052507 130.8
[M+K]+ 122.981842 116.4
[M+H-H2O]+ 67.015944 101.2
[M+HCOO]- 129.016885 127.2
[M+CH3COO]- 143.032535 164.0
[M+Na-2H]- 104.993350 115.1
[M]+ 84.01813542 102.3
[M]- 84.01923258 102.3
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