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

5
Patents

259.991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.998276 150.6
[M+Na]+ 282.980218 160.2
[M-H]- 258.983724 155.0
[M+NH4]+ 278.024823 168.9
[M+K]+ 298.954158 155.8
[M+H-H2O]+ 242.988260 146.1
[M+HCOO]- 304.989201 164.2
[M+CH3COO]- 319.004851 187.6
[M+Na-2H]- 280.965666 153.9
[M]+ 259.99045142 157.1
[M]- 259.99154858 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