CID 2737794

63930-17-6

Structural Information

Molecular Formula
C12H8F2S2
SMILES
C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F
InChI
InChI=1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
InChIKey
LFVFHTBHAIVNJQ-UHFFFAOYSA-N
Compound name
1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

254.00356 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01084 145.1
[M+Na]+ 276.99278 155.1
[M-H]- 252.99628 149.5
[M+NH4]+ 272.03738 163.1
[M+K]+ 292.96672 148.4
[M+H-H2O]+ 237.00082 136.9
[M+HCOO]- 299.00176 157.4
[M+CH3COO]- 313.01741 157.4
[M+Na-2H]- 274.97823 146.5
[M]+ 254.00301 145.4
[M]- 254.00411 145.4
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