CID 82128

7693-41-6

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=CC=C(C=C1)OC(=O)Cl
InChI
InChI=1S/C8H7ClO3/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3
InChIKey
CCFSGQKTSBIIHG-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1304
Patents

186.00838 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 132.4
[M+Na]+ 208.997598 142.0
[M-H]- 185.001104 136.5
[M+NH4]+ 204.042203 153.3
[M+K]+ 224.971538 139.9
[M+H-H2O]+ 169.005640 127.9
[M+HCOO]- 231.006581 152.8
[M+CH3COO]- 245.022231 178.6
[M+Na-2H]- 206.983046 139.0
[M]+ 186.00783142 137.3
[M]- 186.00892858 137.3
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