CID 131387026

2089731-83-7

Structural Information

Molecular Formula
C8H4ClF3N2O2S
SMILES
C1=CC(=CC=C1C2(N=N2)C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C8H4ClF3N2O2S/c9-17(15,16)6-3-1-5(2-4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKey
CINGXRHPEXNFCE-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)diazirin-3-yl]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.9634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97068 148.1
[M+Na]+ 306.95262 161.1
[M-H]- 282.95612 149.9
[M+NH4]+ 301.99722 159.7
[M+K]+ 322.92656 155.8
[M+H-H2O]+ 266.96066 139.8
[M+HCOO]- 328.96160 157.2
[M+CH3COO]- 342.97725 193.6
[M+Na-2H]- 304.93807 154.8
[M]+ 283.96285 152.4
[M]- 283.96395 152.4
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