CID 67982

4-fluoro-2-methylaniline

Structural Information

Molecular Formula
C7H8FN
SMILES
CC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N
Compound name
4-fluoro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1922
Patents

125.06408 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07136 122.1
[M+Na]+ 148.05330 134.8
[M+NH4]+ 143.09790 131.3
[M+K]+ 164.02724 128.2
[M-H]- 124.05680 124.3
[M+Na-2H]- 146.03875 129.5
[M]+ 125.06353 124.5
[M]- 125.06463 124.5
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