CID 14495775

1,2-difluoro-3-propoxybenzene

Structural Information

Molecular Formula
C9H10F2O
SMILES
CCCOC1=C(C(=CC=C1)F)F
InChI
InChI=1S/C9H10F2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
InChIKey
NWZJQVBKARIQNT-UHFFFAOYSA-N
Compound name
1,2-difluoro-3-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

102
Patents

172.06998 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.077256 131.2
[M+Na]+ 195.059198 140.6
[M-H]- 171.062704 132.7
[M+NH4]+ 190.103803 152.1
[M+K]+ 211.033138 138.4
[M+H-H2O]+ 155.067240 124.1
[M+HCOO]- 217.068181 153.9
[M+CH3COO]- 231.083831 181.1
[M+Na-2H]- 193.044646 137.0
[M]+ 172.06943142 131.0
[M]- 172.07052858 131.0
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