CID 62442

Heptafluoropropane

Structural Information

Molecular Formula
C3HF7
SMILES
C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C3HF7/c4-1(5)2(6,7)3(8,9)10/h1H
InChIKey
UKACHOXRXFQJFN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

49700
Patents

169.99664 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00392 122.3
[M+Na]+ 192.98586 131.7
[M-H]- 168.98936 114.3
[M+NH4]+ 188.03046 142.3
[M+K]+ 208.95980 130.6
[M+H-H2O]+ 152.99390 113.1
[M+HCOO]- 214.99484 135.4
[M+CH3COO]- 229.01049 179.6
[M+Na-2H]- 190.97131 126.9
[M]+ 169.99609 111.4
[M]- 169.99719 111.4
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