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

44
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 136.9
[M+Na]+ 232.01113 148.2
[M-H]- 208.01463 137.1
[M+NH4]+ 227.05573 157.0
[M+K]+ 247.98507 143.2
[M+H-H2O]+ 192.01917 130.4
[M+HCOO]- 254.02011 152.9
[M+CH3COO]- 268.03576 187.7
[M+Na-2H]- 229.99658 141.2
[M]+ 209.02136 133.8
[M]- 209.02246 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