CID 33788166

[4-(dimethylamino)-3-fluorophenyl]methanol

Structural Information

Molecular Formula
C9H12FNO
SMILES
CN(C)C1=C(C=C(C=C1)CO)F
InChI
InChI=1S/C9H12FNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-5,12H,6H2,1-2H3
InChIKey
IPYOLIXNVPEJJO-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3-fluorophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.09029 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.4
[M+Na]+ 192.07951 141.7
[M-H]- 168.08301 136.4
[M+NH4]+ 187.12411 154.1
[M+K]+ 208.05345 140.3
[M+H-H2O]+ 152.08755 126.9
[M+HCOO]- 214.08849 157.2
[M+CH3COO]- 228.10414 184.0
[M+Na-2H]- 190.06496 138.7
[M]+ 169.08974 133.0
[M]- 169.09084 133.0
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