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]+ 231.028576 143.4
[M+Na]+ 253.010518 152.7
[M-H]- 229.014024 144.9
[M+NH4]+ 248.055123 162.3
[M+K]+ 268.984458 148.9
[M+H-H2O]+ 213.018560 135.9
[M+HCOO]- 275.019501 160.0
[M+CH3COO]- 289.035151 187.6
[M+Na-2H]- 250.995966 144.2
[M]+ 230.02075142 145.1
[M]- 230.02184858 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.