CID 91634060

Methyl 3-[(2,5-difluorophenyl)sulfanyl]prop-2-enoate

Structural Information

Molecular Formula
C10H8F2O2S
SMILES
COC(=O)/C=C/SC1=C(C=CC(=C1)F)F
InChI
InChI=1S/C10H8F2O2S/c1-14-10(13)4-5-15-9-6-7(11)2-3-8(9)12/h2-6H,1H3/b5-4+
InChIKey
ZXPSFKVPARRZJG-SNAWJCMRSA-N
Compound name
methyl (E)-3-(2,5-difluorophenyl)sulfanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02858 143.4
[M+Na]+ 253.01052 152.7
[M-H]- 229.01402 144.9
[M+NH4]+ 248.05512 162.3
[M+K]+ 268.98446 148.9
[M+H-H2O]+ 213.01856 135.9
[M+HCOO]- 275.01950 160.0
[M+CH3COO]- 289.03515 187.6
[M+Na-2H]- 250.99597 144.2
[M]+ 230.02075 145.1
[M]- 230.02185 145.1
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

No patent data available for this compound.