CID 139026281

2361634-44-6

Structural Information

Molecular Formula
C6H3ClF5IS
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)I)Cl
InChI
InChI=1S/C6H3ClF5IS/c7-5-2-1-4(3-6(5)13)14(8,9,10,11)12/h1-3H
InChIKey
XGBZNYYCDWNBKJ-UHFFFAOYSA-N
Compound name
(4-chloro-3-iodophenyl)-pentafluoro-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.8609 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.86818 133.3
[M+Na]+ 386.85012 138.7
[M-H]- 362.85362 125.3
[M+NH4]+ 381.89472 147.6
[M+K]+ 402.82406 139.0
[M+H-H2O]+ 346.85816 122.8
[M+HCOO]- 408.85910 138.6
[M+CH3COO]- 422.87475 198.1
[M+Na-2H]- 384.83557 123.1
[M]+ 363.86035 128.7
[M]- 363.86145 128.7
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.