CID 518959

2-fluoro-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=CC(=C(C(=C1)F)N)C(F)(F)F
InChI
InChI=1S/C7H5F4N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKey
CQSFHEFEKDRLKE-UHFFFAOYSA-N
Compound name
2-fluoro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

179.03581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 129.6
[M+Na]+ 202.02503 139.6
[M-H]- 178.02853 128.4
[M+NH4]+ 197.06963 149.5
[M+K]+ 217.99897 136.5
[M+H-H2O]+ 162.03307 121.3
[M+HCOO]- 224.03401 149.3
[M+CH3COO]- 238.04966 182.5
[M+Na-2H]- 200.01048 134.9
[M]+ 179.03526 122.3
[M]- 179.03636 122.3
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