CID 176514732

6:2 ftsam-u-pr-dimeam

Structural Information

Molecular Formula
C13H15F13N2O2S
SMILES
CN(C)/C=C/CNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H15F13N2O2S/c1-28(2)6-3-5-27-31(29,30)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3,6,27H,4-5,7H2,1-2H3/b6-3+
InChIKey
MBKJIWIFUYFNCK-ZZXKWVIFSA-N
Compound name
N-[(E)-3-(dimethylamino)prop-2-enyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.06467 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.07195 182.6
[M+Na]+ 533.05389 190.6
[M-H]- 509.05739 190.2
[M+NH4]+ 528.09849 192.1
[M+K]+ 549.02783 195.7
[M+H-H2O]+ 493.06193 172.5
[M+HCOO]- 555.06287 199.6
[M+CH3COO]- 569.07852 242.7
[M+Na-2H]- 531.03934 179.4
[M]+ 510.06412 180.8
[M]- 510.06522 180.8
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.