CID 41967

Aliflurane

Structural Information

Molecular Formula

C₄H₃ClF₄O

SMILES

COC1(C(C1(F)Cl)(F)F)F

InChI

InChI=1S/C4H3ClF4O/c1-10-4(9)2(5,6)3(4,7)8/h1H3

InChIKey

LZKANMYVPJZLEW-UHFFFAOYSA-N

Compound name

1-chloro-1,2,2,3-tetrafluoro-3-methoxycyclopropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 393
Patents: 177.98085 Da
Monoisotopic Mass: 1.8
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]+	178.988126	114.8
[M+Na]+	200.970068	128.6
[M-H]-	176.973574	116.0
[M+NH4]+	196.014673	136.7
[M+K]+	216.944008	127.2
[M+H-H2O]+	160.978110	110.9
[M+HCOO]-	222.979051	130.3
[M+CH3COO]-	236.994701	181.7
[M+Na-2H]-	198.955516	123.6
[M]+	177.98030142	117.0
[M]-	177.98139858	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe