CID 9793785

1,1,2,3,3-pentafluoropropane

Structural Information

Molecular Formula
C3H3F5
SMILES
C(C(F)F)(C(F)F)F
InChI
InChI=1S/C3H3F5/c4-1(2(5)6)3(7)8/h1-3H
InChIKey
MWDWMQNTNBHJEI-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8128
Patents

134.01549 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02277 117.8
[M+Na]+ 157.00471 125.6
[M-H]- 133.00821 111.9
[M+NH4]+ 152.04931 139.1
[M+K]+ 172.97865 125.5
[M+H-H2O]+ 117.01275 109.4
[M+HCOO]- 179.01369 134.1
[M+CH3COO]- 193.02934 175.2
[M+Na-2H]- 154.99016 119.8
[M]+ 134.01494 109.6
[M]- 134.01604 109.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe