CID 67072097

5-ethyl-4-fluoro-2-methylaniline

Structural Information

Molecular Formula
C9H12FN
SMILES
CCC1=C(C=C(C(=C1)N)C)F
InChI
InChI=1S/C9H12FN/c1-3-7-5-9(11)6(2)4-8(7)10/h4-5H,3,11H2,1-2H3
InChIKey
NIYGTENNMNUYET-UHFFFAOYSA-N
Compound name
5-ethyl-4-fluoro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.09538 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 129.9
[M+Na]+ 176.08460 139.4
[M-H]- 152.08810 132.6
[M+NH4]+ 171.12920 151.4
[M+K]+ 192.05854 136.7
[M+H-H2O]+ 136.09264 123.9
[M+HCOO]- 198.09358 153.8
[M+CH3COO]- 212.10923 181.6
[M+Na-2H]- 174.07005 134.7
[M]+ 153.09483 128.1
[M]- 153.09593 128.1
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