CID 388544

N-(5-chloro-2-pyridyl)triflimide

Structural Information

Molecular Formula
C7H3ClF6N2O4S2
SMILES
C1=CC(=NC=C1Cl)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H3ClF6N2O4S2/c8-4-1-2-5(15-3-4)16(21(17,18)6(9,10)11)22(19,20)7(12,13)14/h1-3H
InChIKey
TUFGVZMNGTYAQD-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-pyridinyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2149
Patents

391.9127 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.91998 165.5
[M+Na]+ 414.90192 175.3
[M-H]- 390.90542 162.0
[M+NH4]+ 409.94652 176.7
[M+K]+ 430.87586 170.0
[M+H-H2O]+ 374.90996 155.1
[M+HCOO]- 436.91090 165.0
[M+CH3COO]- 450.92655 211.0
[M+Na-2H]- 412.88737 170.2
[M]+ 391.91215 163.9
[M]- 391.91325 163.9
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

No patent data available for this compound.