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]+ 183.020736 128.2
[M+Na]+ 205.002678 137.5
[M-H]- 181.006184 131.9
[M+NH4]+ 200.047283 143.4
[M+K]+ 220.976618 136.4
[M+H-H2O]+ 165.010720 119.6
[M+HCOO]- 227.011661 144.7
[M+CH3COO]- 241.027311 181.9
[M+Na-2H]- 202.988126 134.6
[M]+ 182.01291142 139.1
[M]- 182.01400858 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.