CID 154578271

2138380-44-4

Structural Information

Molecular Formula
C10H9ClO2
SMILES
CC1(CC2=C1C(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C10H9ClO2/c1-10(9(12)13)5-6-3-2-4-7(11)8(6)10/h2-4H,5H2,1H3,(H,12,13)
InChIKey
ULOAQBZRCQYMSN-UHFFFAOYSA-N
Compound name
5-chloro-7-methylbicyclo[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

196.02911 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 134.4
[M+Na]+ 219.01833 144.2
[M-H]- 195.02183 138.4
[M+NH4]+ 214.06293 151.1
[M+K]+ 234.99227 142.9
[M+H-H2O]+ 179.02637 126.8
[M+HCOO]- 241.02731 150.6
[M+CH3COO]- 255.04296 184.4
[M+Na-2H]- 217.00378 141.3
[M]+ 196.02856 145.9
[M]- 196.02966 145.9
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.