CID 54236490

1274903-38-6

Structural Information

Molecular Formula

C₈H₇F₃O₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)CO

InChI

InChI=1S/C8H7F3O3S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

InChIKey

WWMBYRXFWHZGDQ-UHFFFAOYSA-N

Compound name

[3-(trifluoromethylsulfonyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 240.0068 Da
Monoisotopic Mass: 0.9
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]+	241.014076	143.1
[M+Na]+	262.996018	152.6
[M-H]-	238.999524	142.0
[M+NH4]+	258.040623	160.5
[M+K]+	278.969958	148.8
[M+H-H2O]+	223.004060	135.6
[M+HCOO]-	285.005001	155.9
[M+CH3COO]-	299.020651	183.4
[M+Na-2H]-	260.981466	147.3
[M]+	240.00625142	141.5
[M]-	240.00734858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe