CID 2734081

2-chloro-6-nitro-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4ClF3N2O2
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
InChI
InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2
InChIKey
JLWRJMVXRUKFPA-UHFFFAOYSA-N
Compound name
2-chloro-6-nitro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

239.99133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.998606 139.8
[M+Na]+ 262.980548 149.9
[M-H]- 238.984054 139.8
[M+NH4]+ 258.025153 157.4
[M+K]+ 278.954488 141.7
[M+H-H2O]+ 222.988590 137.9
[M+HCOO]- 284.989531 157.4
[M+CH3COO]- 299.005181 185.6
[M+Na-2H]- 260.965996 146.0
[M]+ 239.99078142 135.4
[M]- 239.99187858 135.4
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