CID 10307894

1-(3,5-difluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H10F2O
SMILES
CCC(C1=CC(=CC(=C1)F)F)O
InChI
InChI=1S/C9H10F2O/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9,12H,2H2,1H3
InChIKey
MLPFKMZEVVEIPX-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.06998 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07726 132.1
[M+Na]+ 195.05920 140.8
[M-H]- 171.06270 132.3
[M+NH4]+ 190.10380 152.2
[M+K]+ 211.03314 138.2
[M+H-H2O]+ 155.06724 125.4
[M+HCOO]- 217.06818 152.3
[M+CH3COO]- 231.08383 179.3
[M+Na-2H]- 193.04465 136.1
[M]+ 172.06943 129.4
[M]- 172.07053 129.4
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