CID 68091067

3-chloro-n2-methyl-5-trifluoromethylbenzene-1,2-diamine

Structural Information

Molecular Formula
C8H8ClF3N2
SMILES
CNC1=C(C=C(C=C1Cl)C(F)(F)F)N
InChI
InChI=1S/C8H8ClF3N2/c1-14-7-5(9)2-4(3-6(7)13)8(10,11)12/h2-3,14H,13H2,1H3
InChIKey
VLRKYZXICZTYAH-UHFFFAOYSA-N
Compound name
3-chloro-2-N-methyl-5-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

224.0328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04008 142.3
[M+Na]+ 247.02202 151.5
[M+NH4]+ 242.06662 148.5
[M+K]+ 262.99596 146.4
[M-H]- 223.02552 140.6
[M+Na-2H]- 245.00747 146.9
[M]+ 224.03225 143.1
[M]- 224.03335 143.1
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