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
1
Annotation Hits

0
References

104
Patents

172.06998 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07726 131.2
[M+Na]+ 195.05920 140.6
[M-H]- 171.06270 132.7
[M+NH4]+ 190.10380 152.1
[M+K]+ 211.03314 138.4
[M+H-H2O]+ 155.06724 124.1
[M+HCOO]- 217.06818 153.9
[M+CH3COO]- 231.08383 181.1
[M+Na-2H]- 193.04465 137.0
[M]+ 172.06943 131.0
[M]- 172.07053 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