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 128.4
[M+Na]+ 205.00268 137.8
[M+NH4]+ 200.04728 133.8
[M+K]+ 220.97662 133.6
[M-H]- 181.00618 127.4
[M+Na-2H]- 202.98813 132.1
[M]+ 182.01291 128.5
[M]- 182.01401 128.5
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.