CID 3054404

Brn 2871012

Structural Information

Molecular Formula
C15H13Cl2NO2
SMILES
C1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)NCC(=O)O
InChI
InChI=1S/C15H13Cl2NO2/c16-12-7-6-11(8-13(12)17)15(18-9-14(19)20)10-4-2-1-3-5-10/h1-8,15,18H,9H2,(H,19,20)
InChIKey
QBZLVOKGDIQHKX-UHFFFAOYSA-N
Compound name
2-[[(3,4-dichlorophenyl)-phenylmethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.03235 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03963 165.6
[M+Na]+ 332.02157 173.2
[M-H]- 308.02507 170.3
[M+NH4]+ 327.06617 180.6
[M+K]+ 347.99551 166.6
[M+H-H2O]+ 292.02961 160.0
[M+HCOO]- 354.03055 178.3
[M+CH3COO]- 368.04620 202.8
[M+Na-2H]- 330.00702 168.1
[M]+ 309.03180 168.0
[M]- 309.03290 168.0
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.