CID 67980

2,5-difluorotoluene

Structural Information

Molecular Formula

C₇H₆F₂

SMILES

CC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey

YSNVKDGEALPJGC-UHFFFAOYSA-N

Compound name

1,4-difluoro-2-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5319
Patents: 128.04376 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]+	129.051036	118.0
[M+Na]+	151.032978	128.3
[M-H]-	127.036484	119.9
[M+NH4]+	146.077583	140.7
[M+K]+	167.006918	126.2
[M+H-H2O]+	111.041020	111.6
[M+HCOO]-	173.041961	141.2
[M+CH3COO]-	187.057611	173.1
[M+Na-2H]-	149.018426	125.0
[M]+	128.04321142	115.7
[M]-	128.04430858	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe