CID 55296064

1638764-95-0

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CC(CCNC1)(C(F)(F)F)O

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6(12)2-1-4-11-5-3-6/h11-12H,1-5H2

InChIKey

IPDHAFJZFXZXST-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)azepan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.0871 Da
Monoisotopic Mass: 1.0
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]+	184.09438	131.5
[M+Na]+	206.07632	136.3
[M+NH4]+	201.12092	137.2
[M+K]+	222.05026	133.0
[M-H]-	182.07982	127.0
[M+Na-2H]-	204.06177	135.3
[M]+	183.08655	130.6
[M]-	183.08765	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.