CID 63894092

1-(2-chloro-6-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H10ClFO
SMILES
CCC(C1=C(C=CC=C1Cl)F)O
InChI
InChI=1S/C9H10ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
InChIKey
DNNYTGFHRGABPE-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.04042 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04770 134.5
[M+Na]+ 211.02964 144.0
[M-H]- 187.03314 135.9
[M+NH4]+ 206.07424 154.9
[M+K]+ 227.00358 139.7
[M+H-H2O]+ 171.03768 129.7
[M+HCOO]- 233.03862 151.3
[M+CH3COO]- 247.05427 180.4
[M+Na-2H]- 209.01509 138.7
[M]+ 188.03987 135.0
[M]- 188.04097 135.0
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