CID 3019991

1,3-diethyl-2-fluorobenzene

Structural Information

Molecular Formula
C10H13F
SMILES
CCC1=C(C(=CC=C1)CC)F
InChI
InChI=1S/C10H13F/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4H2,1-2H3
InChIKey
BJINCTYPVIJQPO-UHFFFAOYSA-N
Compound name
1,3-diethyl-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

152.10013 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.107406 129.4
[M+Na]+ 175.089348 138.4
[M-H]- 151.092854 132.2
[M+NH4]+ 170.133953 151.3
[M+K]+ 191.063288 136.0
[M+H-H2O]+ 135.097390 123.4
[M+HCOO]- 197.098331 152.6
[M+CH3COO]- 211.113981 179.5
[M+Na-2H]- 173.074796 135.3
[M]+ 152.09958142 129.3
[M]- 152.10067858 129.3
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

patents stripe