CID 88023

O-tolyl chloroformate

Structural Information

Molecular Formula
C8H7ClO2
SMILES
CC1=CC=CC=C1OC(=O)Cl
InChI
InChI=1S/C8H7ClO2/c1-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChIKey
FYFLCWYDZJJMDE-UHFFFAOYSA-N
Compound name
(2-methylphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

170.01346 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 129.5
[M+Na]+ 193.00268 139.2
[M-H]- 169.00618 133.7
[M+NH4]+ 188.04728 151.1
[M+K]+ 208.97662 136.5
[M+H-H2O]+ 153.01072 125.2
[M+HCOO]- 215.01166 149.7
[M+CH3COO]- 229.02731 176.6
[M+Na-2H]- 190.98813 136.1
[M]+ 170.01291 133.0
[M]- 170.01401 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

literature stripe

Patent stripe

patents stripe