CID 68091067

3-chloro-n2-methyl-5-(trifluoromethyl)-1,2-benzenediamine

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 141.9
[M+Na]+ 247.02202 152.3
[M-H]- 223.02552 141.9
[M+NH4]+ 242.06662 160.9
[M+K]+ 262.99596 147.2
[M+H-H2O]+ 207.03006 134.9
[M+HCOO]- 269.03100 158.9
[M+CH3COO]- 283.04665 192.6
[M+Na-2H]- 245.00747 146.3
[M]+ 224.03225 138.0
[M]- 224.03335 138.0
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