CID 118238508

1801700-81-1

Structural Information

Molecular Formula
C7H5F5O3S
SMILES
C1=CC(=C(C=C1S(F)(F)(F)(F)F)C(=O)O)O
InChI
InChI=1S/C7H5F5O3S/c8-16(9,10,11,12)4-1-2-6(13)5(3-4)7(14)15/h1-3,13H,(H,14,15)
InChIKey
KVJDCMSIZPCNQP-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(pentafluoro-lambda6-sulfanyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.98795 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99523 137.2
[M+Na]+ 286.97717 147.6
[M-H]- 262.98067 132.8
[M+NH4]+ 282.02177 153.2
[M+K]+ 302.95111 143.1
[M+H-H2O]+ 246.98521 128.9
[M+HCOO]- 308.98615 147.5
[M+CH3COO]- 323.00180 187.6
[M+Na-2H]- 284.96262 136.2
[M]+ 263.98740 132.1
[M]- 263.98850 132.1
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