CID 91196819

(2r)-2-(4-chlorophenyl)-2-methoxyaceticacid

Structural Information

Molecular Formula
C9H9ClO3
SMILES
CO[C@H](C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H9ClO3/c1-13-8(9(11)12)6-2-4-7(10)5-3-6/h2-5,8H,1H3,(H,11,12)/t8-/m1/s1
InChIKey
OFASTQPKCTUSPZ-MRVPVSSYSA-N
Compound name
(2R)-2-(4-chlorophenyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 137.3
[M+Na]+ 223.01324 145.7
[M-H]- 199.01674 139.9
[M+NH4]+ 218.05784 156.7
[M+K]+ 238.98718 142.8
[M+H-H2O]+ 183.02128 132.9
[M+HCOO]- 245.02222 154.8
[M+CH3COO]- 259.03787 180.6
[M+Na-2H]- 220.99869 141.6
[M]+ 200.02347 140.2
[M]- 200.02457 140.2
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.