CID 47002168

Methyl (2e)-3-[4-(chlorosulfonyl)phenyl]prop-2-enoate

Structural Information

Molecular Formula
C10H9ClO4S
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO4S/c1-15-10(12)7-4-8-2-5-9(6-3-8)16(11,13)14/h2-7H,1H3/b7-4+
InChIKey
GMILRSSKKFEWKB-QPJJXVBHSA-N
Compound name
methyl (E)-3-(4-chlorosulfonylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99828 150.6
[M+Na]+ 282.98022 160.2
[M-H]- 258.98372 155.0
[M+NH4]+ 278.02482 168.9
[M+K]+ 298.95416 155.8
[M+H-H2O]+ 242.98826 146.1
[M+HCOO]- 304.98920 164.2
[M+CH3COO]- 319.00485 187.6
[M+Na-2H]- 280.96567 153.9
[M]+ 259.99045 157.1
[M]- 259.99155 157.1
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