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

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 128.6
[M+Na]+ 178.06387 138.4
[M-H]- 154.06737 131.5
[M+NH4]+ 173.10847 149.9
[M+K]+ 194.03781 136.5
[M+H-H2O]+ 138.07191 122.5
[M+HCOO]- 200.07285 153.1
[M+CH3COO]- 214.08850 180.6
[M+Na-2H]- 176.04932 133.9
[M]+ 155.07410 127.8
[M]- 155.07520 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