CID 130884737

2408958-08-5

Structural Information

Molecular Formula
C8H7F4N
SMILES
CC1=C(C=CC(=C1F)C(F)(F)F)N
InChI
InChI=1S/C8H7F4N/c1-4-6(13)3-2-5(7(4)9)8(10,11)12/h2-3H,13H2,1H3
InChIKey
AJPCWPVUWZNTSX-UHFFFAOYSA-N
Compound name
3-fluoro-2-methyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.05147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 145.4
[M+Na]+ 216.04069 153.7
[M+NH4]+ 211.08529 150.5
[M+K]+ 232.01463 148.7
[M-H]- 192.04419 142.0
[M+Na-2H]- 214.02614 148.7
[M]+ 193.05092 145.3
[M]- 193.05202 145.3
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