CID 4516976

2',6'-dinitro-4'-(trifluoromethyl)methanesulfonanilide

Structural Information

Molecular Formula
C8H6F3N3O6S
SMILES
CS(=O)(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6F3N3O6S/c1-21(19,20)12-7-5(13(15)16)2-4(8(9,10)11)3-6(7)14(17)18/h2-3,12H,1H3
InChIKey
JGXUHUJGYWAUGQ-UHFFFAOYSA-N
Compound name
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.99295 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.00023 174.0
[M+Na]+ 351.98217 179.7
[M+NH4]+ 347.02677 182.4
[M+K]+ 367.95611 188.1
[M-H]- 327.98567 171.4
[M+Na-2H]- 349.96762 172.8
[M]+ 328.99240 176.3
[M]- 328.99350 176.3
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