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

8
Patents

141.05899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.066266 124.6
[M+Na]+ 164.048208 134.5
[M-H]- 140.051714 126.3
[M+NH4]+ 159.092813 145.8
[M+K]+ 180.022148 131.9
[M+H-H2O]+ 124.056250 119.0
[M+HCOO]- 186.057191 147.9
[M+CH3COO]- 200.072841 175.0
[M+Na-2H]- 162.033656 129.9
[M]+ 141.05844142 121.6
[M]- 141.05953858 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