CID 58071402

4-fluoro-3-methoxy-5-methylaniline hydrochloride

Structural Information

Molecular Formula
C8H10FNO
SMILES
CC1=CC(=CC(=C1F)OC)N
InChI
InChI=1S/C8H10FNO/c1-5-3-6(10)4-7(11-2)8(5)9/h3-4H,10H2,1-2H3
InChIKey
PQIYMNDFIMDJLN-UHFFFAOYSA-N
Compound name
4-fluoro-3-methoxy-5-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

155.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08193 130.0
[M+Na]+ 178.06387 142.3
[M+NH4]+ 173.10847 138.3
[M+K]+ 194.03781 136.2
[M-H]- 154.06737 131.6
[M+Na-2H]- 176.04932 136.4
[M]+ 155.07410 132.1
[M]- 155.07520 132.1
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