CID 82276917

Methyl n-[4-(chlorosulfonyl)-2-methylphenyl]carbamate

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)Cl)NC(=O)OC
InChI
InChI=1S/C9H10ClNO4S/c1-6-5-7(16(10,13)14)3-4-8(6)11-9(12)15-2/h3-5H,1-2H3,(H,11,12)
InChIKey
MYLJFRKKFNLYEX-UHFFFAOYSA-N
Compound name
methyl N-(4-chlorosulfonyl-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0019 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.009176 151.1
[M+Na]+ 285.991118 160.7
[M-H]- 261.994624 155.8
[M+NH4]+ 281.035723 169.2
[M+K]+ 301.965058 157.0
[M+H-H2O]+ 245.999160 146.5
[M+HCOO]- 308.000101 165.7
[M+CH3COO]- 322.015751 191.7
[M+Na-2H]- 283.976566 154.7
[M]+ 263.00135142 157.4
[M]- 263.00244858 157.4
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.