CID 22567999

3,4-difluorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₃ClF₂O₂

SMILES

C1=CC(=C(C=C1OC(=O)Cl)F)F

InChI

InChI=1S/C7H3ClF2O2/c8-7(11)12-4-1-2-5(9)6(10)3-4/h1-3H

InChIKey

UZUSKWRSXHOBES-UHFFFAOYSA-N

Compound name

(3,4-difluorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 191.97896 Da
Monoisotopic Mass: 3.1
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]+	192.98624	128.5
[M+Na]+	214.96818	139.7
[M-H]-	190.97168	130.4
[M+NH4]+	210.01278	149.4
[M+K]+	230.94212	136.3
[M+H-H2O]+	174.97622	122.7
[M+HCOO]-	236.97716	146.9
[M+CH3COO]-	250.99281	180.2
[M+Na-2H]-	212.95363	133.9
[M]+	191.97841	129.8
[M]-	191.97951	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe