CID 30723

2-formylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClO3S
SMILES
C1=CC=C(C(=C1)C=O)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClO3S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-5H
InChIKey
GSUMVXPZWCITFC-UHFFFAOYSA-N
Compound name
2-formylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

203.9648 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.97208 135.1
[M+Na]+ 226.95402 146.1
[M-H]- 202.95752 139.9
[M+NH4]+ 221.99862 155.8
[M+K]+ 242.92796 142.0
[M+H-H2O]+ 186.96206 131.2
[M+HCOO]- 248.96300 150.2
[M+CH3COO]- 262.97865 177.9
[M+Na-2H]- 224.93947 140.7
[M]+ 203.96425 140.4
[M]- 203.96535 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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