CID 68024

4-fluoro-n-methylaniline

Structural Information

Molecular Formula
C7H8FN
SMILES
CNC1=CC=C(C=C1)F
InChI
InChI=1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChIKey
VLWRKVBQUANIGI-UHFFFAOYSA-N
Compound name
4-fluoro-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2092
Patents

125.06408 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 120.6
[M+Na]+ 148.05330 129.0
[M-H]- 124.05680 123.4
[M+NH4]+ 143.09790 142.9
[M+K]+ 164.02724 127.2
[M+H-H2O]+ 108.06134 114.5
[M+HCOO]- 170.06228 145.9
[M+CH3COO]- 184.07793 173.9
[M+Na-2H]- 146.03875 129.1
[M]+ 125.06353 118.3
[M]- 125.06463 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe