CID 2778329

3,5-difluorotoluene

Structural Information

Molecular Formula

C₇H₆F₂

SMILES

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

InChI

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

InChIKey

YISYUYYETHYYMD-UHFFFAOYSA-N

Compound name

1,3-difluoro-5-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3986
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]+	129.05104	124.3
[M+Na]+	151.03298	137.1
[M+NH4]+	146.07758	133.0
[M+K]+	167.00692	130.1
[M-H]-	127.03648	124.7
[M+Na-2H]-	149.01843	131.4
[M]+	128.04321	126.2
[M]-	128.04431	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe