CID 2737644

2-amino-5-chloro-3-nitrobenzotrifluoride

Structural Information

Molecular Formula
C7H4ClF3N2O2
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4ClF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2
InChIKey
SOMIWUJTMQGXJC-UHFFFAOYSA-N
Compound name
4-chloro-2-nitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

239.99133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99861 139.8
[M+Na]+ 262.98055 149.9
[M-H]- 238.98405 139.8
[M+NH4]+ 258.02515 157.4
[M+K]+ 278.95449 141.7
[M+H-H2O]+ 222.98859 137.9
[M+HCOO]- 284.98953 157.4
[M+CH3COO]- 299.00518 185.6
[M+Na-2H]- 260.96600 146.0
[M]+ 239.99078 135.4
[M]- 239.99188 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