CID 102423207

1163703-45-4

Structural Information

Molecular Formula
C8H6F3N3O2S
SMILES
C1=CC(=CC=C1C2(N=N2)C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C8H6F3N3O2S/c9-8(10,11)7(13-14-7)5-1-3-6(4-2-5)17(12,15)16/h1-4H,(H2,12,15,16)
InChIKey
ZMTOICQMCRZYHK-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.01328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02056 149.5
[M+Na]+ 288.00250 161.5
[M-H]- 264.00600 150.8
[M+NH4]+ 283.04710 160.5
[M+K]+ 303.97644 156.7
[M+H-H2O]+ 248.01054 140.7
[M+HCOO]- 310.01148 163.3
[M+CH3COO]- 324.02713 194.1
[M+Na-2H]- 285.98795 156.2
[M]+ 265.01273 150.5
[M]- 265.01383 150.5
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