CID 11723125

1h,1h,2h,2h-perfluoroheptan-1-ol

Structural Information

Molecular Formula

C₇H₅F₁₁O

SMILES

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

InChI

InChI=1S/C7H5F11O/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h19H,1-2H2

InChIKey

NPOAVCPGPRUNOX-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 40
Patents: 314.01648 Da
Monoisotopic Mass: 3.7
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]+	315.023756	156.4
[M+Na]+	337.005698	165.2
[M-H]-	313.009204	142.8
[M+NH4]+	332.050303	169.5
[M+K]+	352.979638	162.2
[M+H-H2O]+	297.013740	144.6
[M+HCOO]-	359.014681	159.1
[M+CH3COO]-	373.030331	203.8
[M+Na-2H]-	334.991146	160.1
[M]+	314.01593142	139.2
[M]-	314.01702858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe