CID 18517415

13891-54-8

Structural Information

Molecular Formula

SMILES

C(C(F)Cl)O

InChI

InChI=1S/C2H4ClFO/c3-2(4)1-5/h2,5H,1H2

InChIKey

LRACLFFCXOEWLG-UHFFFAOYSA-N

Compound name

2-chloro-2-fluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3960
Patents: 97.99347 Da
Monoisotopic Mass: 0.6
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]+	99.000746	111.0
[M+Na]+	120.98269	120.0
[M-H]-	96.986194	109.1
[M+NH4]+	116.02729	134.6
[M+K]+	136.95663	118.3
[M+H-H2O]+	80.990730	107.8
[M+HCOO]-	142.99167	128.4
[M+CH3COO]-	157.00732	161.9
[M+Na-2H]-	118.96814	117.7
[M]+	97.992921	110.2
[M]-	97.994019	110.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe