CID 105440329

1781659-28-6

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C1C(C2=C1C=CC=C2Cl)C(=O)O
InChI
InChI=1S/C9H7ClO2/c10-7-3-1-2-5-4-6(8(5)7)9(11)12/h1-3,6H,4H2,(H,11,12)
InChIKey
HCKGXMWVMAMLOG-UHFFFAOYSA-N
Compound name
5-chlorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01346 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 128.2
[M+Na]+ 205.00268 137.5
[M-H]- 181.00618 131.9
[M+NH4]+ 200.04728 143.4
[M+K]+ 220.97662 136.4
[M+H-H2O]+ 165.01072 119.6
[M+HCOO]- 227.01166 144.7
[M+CH3COO]- 241.02731 181.9
[M+Na-2H]- 202.98813 134.6
[M]+ 182.01291 139.1
[M]- 182.01401 139.1
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.