CID 9890

1,1,2-trifluoroethane

Structural Information

Molecular Formula
C2H3F3
SMILES
C(C(F)F)F
InChI
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2
InChIKey
WGZYQOSEVSXDNI-UHFFFAOYSA-N
Compound name
1,1,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

41935
Patents

84.018684 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.025960 107.3
[M+Na]+ 107.00790 115.9
[M-H]- 83.011408 104.2
[M+NH4]+ 102.05251 131.1
[M+K]+ 122.98184 116.2
[M+H-H2O]+ 67.015944 101.1
[M+HCOO]- 129.01688 128.2
[M+CH3COO]- 143.03254 164.5
[M+Na-2H]- 104.99335 113.7
[M]+ 84.018135 102.7
[M]- 84.019233 102.7
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