CID 18727725

4,5-difluoro-2-methylaniline

Structural Information

Molecular Formula
C7H7F2N
SMILES
CC1=CC(=C(C=C1N)F)F
InChI
InChI=1S/C7H7F2N/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey
HKAMTWLPOCYTMX-UHFFFAOYSA-N
Compound name
4,5-difluoro-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

143.05466 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 127.0
[M+Na]+ 166.04388 138.7
[M+NH4]+ 161.08848 135.0
[M+K]+ 182.01782 132.5
[M-H]- 142.04738 127.5
[M+Na-2H]- 164.02933 133.1
[M]+ 143.05411 128.6
[M]- 143.05521 128.6
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