CID 21307269

1216818-87-9

Structural Information

Molecular Formula
C8H10FNO
SMILES
CNC1=CC(=C(C=C1)OC)F
InChI
InChI=1S/C8H10FNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3
InChIKey
PSKWYWANKQMURA-UHFFFAOYSA-N
Compound name
3-fluoro-4-methoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

155.07465 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.081926 128.3
[M+Na]+ 178.063868 137.2
[M-H]- 154.067374 131.3
[M+NH4]+ 173.108473 149.6
[M+K]+ 194.037808 135.6
[M+H-H2O]+ 138.071910 121.9
[M+HCOO]- 200.072851 153.4
[M+CH3COO]- 214.088501 180.1
[M+Na-2H]- 176.049316 135.4
[M]+ 155.07410142 128.2
[M]- 155.07519858 128.2
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