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
1
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]+ 153.10741 129.4
[M+Na]+ 175.08935 138.4
[M-H]- 151.09285 132.2
[M+NH4]+ 170.13395 151.3
[M+K]+ 191.06329 136.0
[M+H-H2O]+ 135.09739 123.4
[M+HCOO]- 197.09833 152.6
[M+CH3COO]- 211.11398 179.5
[M+Na-2H]- 173.07480 135.3
[M]+ 152.09958 129.3
[M]- 152.10068 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