CID 81653623

2,2-difluoroethyl chloroformate

Structural Information

Molecular Formula

C₃H₃ClF₂O₂

SMILES

C(C(F)F)OC(=O)Cl

InChI

InChI=1S/C3H3ClF2O2/c4-3(7)8-1-2(5)6/h2H,1H2

InChIKey

AULCHDSNUVHLRR-UHFFFAOYSA-N

Compound name

2,2-difluoroethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 143.97896 Da
Monoisotopic Mass: 2.0
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]+	144.98624	118.4
[M+Na]+	166.96818	127.6
[M-H]-	142.97168	116.5
[M+NH4]+	162.01278	140.6
[M+K]+	182.94212	126.4
[M+H-H2O]+	126.97622	113.6
[M+HCOO]-	188.97716	135.4
[M+CH3COO]-	202.99281	171.6
[M+Na-2H]-	164.95363	123.3
[M]+	143.97841	118.8
[M]-	143.97951	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe