CID 122375

M-tolyl chloroformate

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC1=CC(=CC=C1)OC(=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-6-3-2-4-7(5-6)11-8(9)10/h2-5H,1H3
InChIKey
JXYLZACPFSDBPR-UHFFFAOYSA-N
Compound name
(3-methylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

170.01346 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.020736 129.5
[M+Na]+ 193.002678 139.2
[M-H]- 169.006184 133.7
[M+NH4]+ 188.047283 151.1
[M+K]+ 208.976618 136.5
[M+H-H2O]+ 153.010720 125.2
[M+HCOO]- 215.011661 149.7
[M+CH3COO]- 229.027311 176.6
[M+Na-2H]- 190.988126 136.1
[M]+ 170.01291142 133.0
[M]- 170.01400858 133.0
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