CID 23558986

4-chloro-n-methyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CNC1=CC(=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3N/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKey
JROALZWBRUFSCN-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

209.02191 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.029186 136.7
[M+Na]+ 232.011128 147.0
[M-H]- 208.014634 136.9
[M+NH4]+ 227.055733 156.6
[M+K]+ 247.985068 142.3
[M+H-H2O]+ 192.019170 129.8
[M+HCOO]- 254.020111 153.3
[M+CH3COO]- 268.035761 187.2
[M+Na-2H]- 229.996576 142.7
[M]+ 209.02136142 134.1
[M]- 209.02245858 134.1
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