CID 10680625

428871-73-2

Structural Information

Molecular Formula
C7H4F4N2O2
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])N)F)C(F)(F)F
InChI
InChI=1S/C7H4F4N2O2/c8-4-2-5(12)6(13(14)15)1-3(4)7(9,10)11/h1-2H,12H2
InChIKey
UTRVMCDXCUQEEJ-UHFFFAOYSA-N
Compound name
5-fluoro-2-nitro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

224.02089 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02817 135.5
[M+Na]+ 247.01011 145.3
[M-H]- 223.01361 134.6
[M+NH4]+ 242.05471 152.9
[M+K]+ 262.98405 138.4
[M+H-H2O]+ 207.01815 131.6
[M+HCOO]- 269.01909 156.5
[M+CH3COO]- 283.03474 184.7
[M+Na-2H]- 244.99556 141.8
[M]+ 224.02034 127.7
[M]- 224.02144 127.7
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