CID 121599659

Methyl n-[2-chloro-4-(chlorosulfonyl)phenyl]carbamate

Structural Information

Molecular Formula
C8H7Cl2NO4S
SMILES
COC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO4S/c1-15-8(12)11-7-3-2-5(4-6(7)9)16(10,13)14/h2-4H,1H3,(H,11,12)
InChIKey
SAMAJGYEQIWDDI-UHFFFAOYSA-N
Compound name
methyl N-(2-chloro-4-chlorosulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.9473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95458 151.7
[M+Na]+ 305.93652 161.9
[M-H]- 281.94002 156.2
[M+NH4]+ 300.98112 169.4
[M+K]+ 321.91046 157.3
[M+H-H2O]+ 265.94456 148.3
[M+HCOO]- 327.94550 161.7
[M+CH3COO]- 341.96115 193.2
[M+Na-2H]- 303.92197 155.2
[M]+ 282.94675 158.6
[M]- 282.94785 158.6
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.