CID 864241

2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid

Structural Information

Molecular Formula
C10H10FNO3S
SMILES
C1=CC=C(C(=C1)NC(=O)CSCC(=O)O)F
InChI
InChI=1S/C10H10FNO3S/c11-7-3-1-2-4-8(7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKey
QTUAYANJBVLYAG-UHFFFAOYSA-N
Compound name
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04382 151.1
[M+Na]+ 266.02576 159.5
[M+NH4]+ 261.07036 157.1
[M+K]+ 281.99970 153.3
[M-H]- 242.02926 150.2
[M+Na-2H]- 264.01121 154.5
[M]+ 243.03599 152.0
[M]- 243.03709 152.0
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.