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]+ 170.097566 133.4
[M+Na]+ 192.079508 141.7
[M-H]- 168.083014 136.4
[M+NH4]+ 187.124113 154.1
[M+K]+ 208.053448 140.3
[M+H-H2O]+ 152.087550 126.9
[M+HCOO]- 214.088491 157.2
[M+CH3COO]- 228.104141 184.0
[M+Na-2H]- 190.064956 138.7
[M]+ 169.08974142 133.0
[M]- 169.09083858 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