CID 123065

2-fluoro-1,3-dimethylbenzene

Structural Information

Molecular Formula
C8H9F
SMILES
CC1=C(C(=CC=C1)C)F
InChI
InChI=1S/C8H9F/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey
JTAUTNBVFDTYTI-UHFFFAOYSA-N
Compound name
2-fluoro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2471
Patents

124.068825 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07610 119.8
[M+Na]+ 147.05804 129.7
[M-H]- 123.06155 123.0
[M+NH4]+ 142.10265 142.8
[M+K]+ 163.03198 127.8
[M+H-H2O]+ 107.06608 114.3
[M+HCOO]- 169.06703 143.7
[M+CH3COO]- 183.08268 173.4
[M+Na-2H]- 145.04349 126.9
[M]+ 124.06828 119.0
[M]- 124.06937 119.0
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