CID 71429344

90292-35-6

Structural Information

Molecular Formula
C10H12F8S
SMILES
CCCCSCC=C(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10H12F8S/c1-2-3-5-19-6-4-7(11)8(12,13)9(14,15)10(16,17)18/h4H,2-3,5-6H2,1H3
InChIKey
HREALCQLDPHGIF-UHFFFAOYSA-N
Compound name
1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.0532 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06048 160.2
[M+Na]+ 339.04242 167.1
[M-H]- 315.04592 149.9
[M+NH4]+ 334.08702 174.7
[M+K]+ 355.01636 162.7
[M+H-H2O]+ 299.05046 148.6
[M+HCOO]- 361.05140 163.5
[M+CH3COO]- 375.06705 205.6
[M+Na-2H]- 337.02787 158.4
[M]+ 316.05265 151.4
[M]- 316.05375 151.4
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

No patent data available for this compound.