CID 2735297

2-amino-6-chloro-3,5-dibromobenzoic acid

Structural Information

Molecular Formula
C7H4Br2ClNO2
SMILES
C1=C(C(=C(C(=C1Br)Cl)C(=O)O)N)Br
InChI
InChI=1S/C7H4Br2ClNO2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,11H2,(H,12,13)
InChIKey
YCVONUPUCAHKJM-UHFFFAOYSA-N
Compound name
2-amino-3,5-dibromo-6-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

326.82974 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.83702 143.8
[M+Na]+ 349.81896 156.3
[M-H]- 325.82246 149.6
[M+NH4]+ 344.86356 162.0
[M+K]+ 365.79290 138.3
[M+H-H2O]+ 309.82700 151.6
[M+HCOO]- 371.82794 155.6
[M+CH3COO]- 385.84359 206.2
[M+Na-2H]- 347.80441 148.2
[M]+ 326.82919 177.5
[M]- 326.83029 177.5
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