CID 69624

1,1,2,2,3-pentafluoropropane

Structural Information

Molecular Formula

C₃H₃F₅

SMILES

C(C(C(F)F)(F)F)F

InChI

InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2

InChIKey

AWTOFSDLNREIFS-UHFFFAOYSA-N

Compound name

1,1,2,2,3-pentafluoropropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6531
Patents: 134.01549 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	135.022766	117.0
[M+Na]+	157.004708	125.8
[M-H]-	133.008214	111.3
[M+NH4]+	152.049313	138.7
[M+K]+	172.978648	125.2
[M+H-H2O]+	117.012750	109.2
[M+HCOO]-	179.013691	133.9
[M+CH3COO]-	193.029341	173.7
[M+Na-2H]-	154.990156	122.2
[M]+	134.01494142	109.6
[M]-	134.01603858	109.6

Literature stripe

literature stripe

Patent stripe

patents stripe