CID 15747

1,1,1,2,2-pentafluoropropane

Structural Information

Molecular Formula
C3H3F5
SMILES
CC(C(F)(F)F)(F)F
InChI
InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3
InChIKey
FDOPVENYMZRARC-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9560
Patents

134.01549 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02277 116.9
[M+Na]+ 157.00471 126.4
[M-H]- 133.00821 111.5
[M+NH4]+ 152.04931 138.8
[M+K]+ 172.97865 125.9
[M+H-H2O]+ 117.01275 109.7
[M+HCOO]- 179.01369 133.2
[M+CH3COO]- 193.02934 172.7
[M+Na-2H]- 154.99016 124.0
[M]+ 134.01494 109.4
[M]- 134.01604 109.4
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