CID 640452

(difluoromethyl)benzene

Structural Information

Molecular Formula

C₇H₆F₂

SMILES

C1=CC=C(C=C1)C(F)F

InChI

InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

InChIKey

JDZLOJYSBBLXQD-UHFFFAOYSA-N

Compound name

difluoromethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 4053
Patents: 128.04376 Da
Monoisotopic Mass: 2.5
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]+	129.051036	119.8
[M+Na]+	151.032978	127.9
[M-H]-	127.036484	121.0
[M+NH4]+	146.077583	141.8
[M+K]+	167.006918	126.2
[M+H-H2O]+	111.041020	113.0
[M+HCOO]-	173.041961	141.9
[M+CH3COO]-	187.057611	171.8
[M+Na-2H]-	149.018426	126.9
[M]+	128.04321142	116.0
[M]-	128.04430858	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe