CID 118112132

3-amino-6-fluoro-2-methylphenol

Structural Information

Molecular Formula
C7H8FNO
SMILES
CC1=C(C=CC(=C1O)F)N
InChI
InChI=1S/C7H8FNO/c1-4-6(9)3-2-5(8)7(4)10/h2-3,10H,9H2,1H3
InChIKey
NSHCQRWDOCLXQW-UHFFFAOYSA-N
Compound name
3-amino-6-fluoro-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

141.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06627 124.6
[M+Na]+ 164.04821 134.5
[M-H]- 140.05171 126.3
[M+NH4]+ 159.09281 145.8
[M+K]+ 180.02215 131.9
[M+H-H2O]+ 124.05625 119.0
[M+HCOO]- 186.05719 147.9
[M+CH3COO]- 200.07284 175.0
[M+Na-2H]- 162.03366 129.9
[M]+ 141.05844 121.6
[M]- 141.05954 121.6
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