CID 581493

2,6-difluorotoluene

Structural Information

Molecular Formula
C7H6F2
SMILES
CC1=C(C=CC=C1F)F
InChI
InChI=1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
MZLSNIREOQCDED-UHFFFAOYSA-N
Compound name
1,3-difluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5265
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

literature stripe

Patent stripe

patents stripe