CID 22734623

2-fluoro-3-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
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

No literature data available for this compound.

Patent stripe

patents stripe