CID 20479357

2-chloro-6-methyl-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CC1=CC(=CC(=C1N)Cl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3N/c1-4-2-5(8(10,11)12)3-6(9)7(4)13/h2-3H,13H2,1H3
InChIKey
VFQAPQJRKJBFGM-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

209.02191 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 140.9
[M+Na]+ 232.01113 151.2
[M+NH4]+ 227.05573 147.5
[M+K]+ 247.98507 145.6
[M-H]- 208.01463 139.1
[M+Na-2H]- 229.99658 145.7
[M]+ 209.02136 141.9
[M]- 209.02246 141.9
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