CID 18979661

1,3-difluoro-5-propylbenzene

Structural Information

Molecular Formula
C9H10F2
SMILES
CCCC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C9H10F2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6H,2-3H2,1H3
InChIKey
AXTNQJKYTXEYRM-UHFFFAOYSA-N
Compound name
1,3-difluoro-5-propylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

156.07506 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08234 127.6
[M+Na]+ 179.06428 137.0
[M-H]- 155.06778 129.2
[M+NH4]+ 174.10888 149.2
[M+K]+ 195.03822 134.4
[M+H-H2O]+ 139.07232 120.8
[M+HCOO]- 201.07326 150.1
[M+CH3COO]- 215.08891 179.2
[M+Na-2H]- 177.04973 133.5
[M]+ 156.07451 126.0
[M]- 156.07561 126.0
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