CID 101883947

4-(perfluorobutyl)-3,3-difluorobutanesulfonyl chloride

Structural Information

Molecular Formula
C8H6ClF11O2S
SMILES
C(CS(=O)(=O)Cl)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6ClF11O2S/c9-23(21,22)2-1-4(10,11)3-5(12,13)6(14,15)7(16,17)8(18,19)20/h1-3H2
InChIKey
VNEYERDGZVVTIT-UHFFFAOYSA-N
Compound name
3,3,5,5,6,6,7,7,8,8,8-undecafluorooctane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

409.96014 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.96742 167.7
[M+Na]+ 432.94936 176.9
[M-H]- 408.95286 155.7
[M+NH4]+ 427.99396 178.8
[M+K]+ 448.92330 171.7
[M+H-H2O]+ 392.95740 155.7
[M+HCOO]- 454.95834 162.2
[M+CH3COO]- 468.97399 216.5
[M+Na-2H]- 430.93481 170.6
[M]+ 409.95959 156.5
[M]- 409.96069 156.5
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