CID 58071402

1357103-70-8

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

34
Patents

155.07465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 128.6
[M+Na]+ 178.063868 138.4
[M-H]- 154.067374 131.5
[M+NH4]+ 173.108473 149.9
[M+K]+ 194.037808 136.5
[M+H-H2O]+ 138.071910 122.5
[M+HCOO]- 200.072851 153.1
[M+CH3COO]- 214.088501 180.6
[M+Na-2H]- 176.049316 133.9
[M]+ 155.07410142 127.8
[M]- 155.07519858 127.8
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