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

41
Patents

209.02191 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.029186 136.9
[M+Na]+ 232.011128 148.2
[M-H]- 208.014634 137.1
[M+NH4]+ 227.055733 157.0
[M+K]+ 247.985068 143.2
[M+H-H2O]+ 192.019170 130.4
[M+HCOO]- 254.020111 152.9
[M+CH3COO]- 268.035761 187.7
[M+Na-2H]- 229.996576 141.2
[M]+ 209.02136142 133.8
[M]- 209.02245858 133.8
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