CID 53432801

4-amino-2-chloro-5-fluorobenzoic acid

Structural Information

Molecular Formula
C7H5ClFNO2
SMILES
C1=C(C(=CC(=C1F)N)Cl)C(=O)O
InChI
InChI=1S/C7H5ClFNO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
NXROAANODXBIQM-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.99928 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00656 132.2
[M+Na]+ 211.98850 142.8
[M-H]- 187.99200 133.7
[M+NH4]+ 207.03310 152.0
[M+K]+ 227.96244 138.5
[M+H-H2O]+ 171.99654 127.4
[M+HCOO]- 233.99748 150.4
[M+CH3COO]- 248.01313 181.0
[M+Na-2H]- 209.97395 135.8
[M]+ 188.99873 131.3
[M]- 188.99983 131.3
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.