CID 2733400

3,4-difluorotoluene

Structural Information

Molecular Formula
C7H6F2
SMILES
CC1=CC(=C(C=C1)F)F
InChI
InChI=1S/C7H6F2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
FZMPLKVGINKUJZ-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4710
Patents

128.04376 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05104 118.0
[M+Na]+ 151.03298 128.3
[M-H]- 127.03648 119.9
[M+NH4]+ 146.07758 140.7
[M+K]+ 167.00692 126.2
[M+H-H2O]+ 111.04102 111.6
[M+HCOO]- 173.04196 141.2
[M+CH3COO]- 187.05761 173.1
[M+Na-2H]- 149.01843 125.0
[M]+ 128.04321 115.7
[M]- 128.04431 115.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.