CID 2737674

2-fluoro-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)N
InChI
InChI=1S/C7H5F4N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
InChIKey
ARHDUOQIXLGANT-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

590
Patents

179.03581 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.043086 129.6
[M+Na]+ 202.025028 139.6
[M-H]- 178.028534 128.4
[M+NH4]+ 197.069633 149.5
[M+K]+ 217.998968 136.5
[M+H-H2O]+ 162.033070 121.3
[M+HCOO]- 224.034011 149.3
[M+CH3COO]- 238.049661 182.5
[M+Na-2H]- 200.010476 134.9
[M]+ 179.03526142 122.3
[M]- 179.03635858 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

No literature data available for this compound.

Patent stripe

patents stripe