CID 164598

1,1,1,2,3-pentafluoropropane

Structural Information

Molecular Formula
C3H3F5
SMILES
C(C(C(F)(F)F)F)F
InChI
InChI=1S/C3H3F5/c4-1-2(5)3(6,7)8/h2H,1H2
InChIKey
ZDCWZRQSHBQRGN-UHFFFAOYSA-N
Compound name
1,1,1,2,3-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4882
Patents

134.01549 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.022766 117.2
[M+Na]+ 157.004708 126.0
[M-H]- 133.008214 111.5
[M+NH4]+ 152.049313 138.9
[M+K]+ 172.978648 125.5
[M+H-H2O]+ 117.012750 109.4
[M+HCOO]- 179.013691 134.0
[M+CH3COO]- 193.029341 173.0
[M+Na-2H]- 154.990156 122.4
[M]+ 134.01494142 109.7
[M]- 134.01603858 109.7
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