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-chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2260
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

literature stripe

Patent stripe

patents stripe