CID 22286935

Mefbsaa

Structural Information

Molecular Formula
C7H6F9NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F9NO4S/c1-17(2-3(18)19)22(20,21)7(15,16)5(10,11)4(8,9)6(12,13)14/h2H2,1H3,(H,18,19)
InChIKey
SKGBGOQHXBAKKO-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

370.9874 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.99468 160.8
[M+Na]+ 393.97662 168.0
[M-H]- 369.98012 150.1
[M+NH4]+ 389.02122 164.1
[M+K]+ 409.95056 166.4
[M+H-H2O]+ 353.98466 149.2
[M+HCOO]- 415.98560 172.2
[M+CH3COO]- 430.00125 212.8
[M+Na-2H]- 391.96207 163.6
[M]+ 370.98685 150.8
[M]- 370.98795 150.8
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

patents stripe