CID 68419389

2-chloro-3-cyclopropylbenzoic acid

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1CC1C2=C(C(=CC=C2)C(=O)O)Cl
InChI
InChI=1S/C10H9ClO2/c11-9-7(6-4-5-6)2-1-3-8(9)10(12)13/h1-3,6H,4-5H2,(H,12,13)
InChIKey
PZQDSHAQBVRGIQ-UHFFFAOYSA-N
Compound name
2-chloro-3-cyclopropylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.02911 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 133.7
[M+Na]+ 219.01833 144.4
[M-H]- 195.02183 140.3
[M+NH4]+ 214.06293 148.7
[M+K]+ 234.99227 139.6
[M+H-H2O]+ 179.02637 128.7
[M+HCOO]- 241.02731 152.2
[M+CH3COO]- 255.04296 183.7
[M+Na-2H]- 217.00378 138.7
[M]+ 196.02856 137.5
[M]- 196.02966 137.5
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

patents stripe