CID 21930340

508203-26-7

Structural Information

Molecular Formula

C₇H₄ClF₂NO

SMILES

C1=C(C(=CC(=C1F)Cl)F)C(=O)N

InChI

InChI=1S/C7H4ClF2NO/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H2,11,12)

InChIKey

IINFQWHIIHECLS-UHFFFAOYSA-N

Compound name

4-chloro-2,5-difluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 190.99495 Da
Monoisotopic Mass: 1.6
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]+	192.00223	131.0
[M+Na]+	213.98417	142.1
[M-H]-	189.98767	132.5
[M+NH4]+	209.02877	151.5
[M+K]+	229.95811	137.8
[M+H-H2O]+	173.99221	125.2
[M+HCOO]-	235.99315	149.4
[M+CH3COO]-	250.00880	184.2
[M+Na-2H]-	211.96962	134.6
[M]+	190.99440	129.5
[M]-	190.99550	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe