CID 71669455

1404194-91-7

Structural Information

Molecular Formula

C₇H₄ClF₃O

SMILES

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

InChI

InChI=1S/C7H4ClF3O/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H

InChIKey

RKPZABLOAPYQPY-UHFFFAOYSA-N

Compound name

1-chloro-4-(difluoromethoxy)-2-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 195.99028 Da
Monoisotopic Mass: 3.6
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]+	196.997556	129.1
[M+Na]+	218.979498	139.9
[M-H]-	194.983004	129.4
[M+NH4]+	214.024103	149.7
[M+K]+	234.953438	136.2
[M+H-H2O]+	178.987540	122.3
[M+HCOO]-	240.988481	145.9
[M+CH3COO]-	255.004131	182.6
[M+Na-2H]-	216.964946	133.8
[M]+	195.98973142	128.4
[M]-	195.99082858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe