CID 11005308

149652-30-2

Structural Information

Molecular Formula
C12H4F14O2S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H4F14O2S/c13-5-1-3-6(4-2-5)29(27,28)12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24/h1-4H
InChIKey
OYNKCDZLXSAORO-UHFFFAOYSA-N
Compound name
1-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

477.97086 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.97814 188.4
[M+Na]+ 500.96008 198.0
[M-H]- 476.96358 176.3
[M+NH4]+ 496.00468 195.5
[M+K]+ 516.93402 192.8
[M+H-H2O]+ 460.96812 172.4
[M+HCOO]- 522.96906 182.8
[M+CH3COO]- 536.98471 229.6
[M+Na-2H]- 498.94553 190.9
[M]+ 477.97031 170.2
[M]- 477.97141 170.2
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