CID 84762634

4-amino-2-fluoro-5-methylphenol hydrochloride

Structural Information

Molecular Formula
C7H8FNO
SMILES
CC1=CC(=C(C=C1N)F)O
InChI
InChI=1S/C7H8FNO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,9H2,1H3
InChIKey
NNJLBXORFBPUAH-UHFFFAOYSA-N
Compound name
4-amino-2-fluoro-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 125.6
[M+Na]+ 164.04821 137.6
[M+NH4]+ 159.09281 133.8
[M+K]+ 180.02215 132.1
[M-H]- 140.05171 126.7
[M+Na-2H]- 162.03366 131.7
[M]+ 141.05844 127.5
[M]- 141.05954 127.5
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