CID 67899

1,1,1-trifluoropropane

Structural Information

Molecular Formula
C3H5F3
SMILES
CCC(F)(F)F
InChI
InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3
InChIKey
KDWQLICBSFIDRM-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

33901
Patents

98.03433 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.041606 122.2
[M+Na]+ 121.02355 130.7
[M+NH4]+ 116.06815 128.8
[M+K]+ 136.99749 125.8
[M-H]- 97.027054 117.9
[M+Na-2H]- 119.00900 125.3
[M]+ 98.033781 121.9
[M]- 98.034879 121.9
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