CID 3442878

N-(4-fluorophenyl)picrylamine

Structural Information

Molecular Formula
C12H7FN4O6
SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])F
InChI
InChI=1S/C12H7FN4O6/c13-7-1-3-8(4-2-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H
InChIKey
JJGBDTGDFFAGMT-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2,4,6-trinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.03497 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04225 167.6
[M+Na]+ 345.02419 171.3
[M-H]- 321.02769 172.5
[M+NH4]+ 340.06879 177.0
[M+K]+ 360.99813 156.8
[M+H-H2O]+ 305.03223 170.7
[M+HCOO]- 367.03317 192.1
[M+CH3COO]- 381.04882 195.1
[M+Na-2H]- 343.00964 176.5
[M]+ 322.03442 161.1
[M]- 322.03552 161.1
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