CID 2779096

175840-70-7

Structural Information

Molecular Formula

C₇H₁₃F₃O

SMILES

CCCCC[C@H](C(F)(F)F)O

InChI

InChI=1S/C7H13F3O/c1-2-3-4-5-6(11)7(8,9)10/h6,11H,2-5H2,1H3/t6-/m1/s1

InChIKey

YFVHSPAONQXAIB-ZCFIWIBFSA-N

Compound name

(2R)-1,1,1-trifluoroheptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 170.09184 Da
Monoisotopic Mass: 3.1
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]+	171.09912	134.9
[M+Na]+	193.08106	141.7
[M-H]-	169.08456	129.8
[M+NH4]+	188.12566	154.8
[M+K]+	209.05500	140.3
[M+H-H2O]+	153.08910	128.3
[M+HCOO]-	215.09004	151.4
[M+CH3COO]-	229.10569	178.3
[M+Na-2H]-	191.06651	138.5
[M]+	170.09129	131.1
[M]-	170.09239	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe