CID 2778458

3-fluoro-5-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

125.06408 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.071356 120.9
[M+Na]+ 148.053298 130.3
[M-H]- 124.056804 123.6
[M+NH4]+ 143.097903 143.2
[M+K]+ 164.027238 128.1
[M+H-H2O]+ 108.061340 115.1
[M+HCOO]- 170.062281 145.5
[M+CH3COO]- 184.077931 174.3
[M+Na-2H]- 146.038746 127.5
[M]+ 125.06353142 117.9
[M]- 125.06462858 117.9
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